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1-(4,7-dimethylquinazolin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

ChemBase ID: 340870
Molecular Formular: C24H28N4O
Molecular Mass: 388.50532
Monoisotopic Mass: 388.22631154
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)C)ccc(c2)C)N1CC(C(=O)N[C@H](c2ccccc2)C)CCC1
Canonical SMILES:
O=C(C1CCCN(C1)c1nc(C)c2c(n1)cc(cc2)C)N[C@H](c1ccccc1)C
InChI:
InChI=1S/C24H28N4O/c1-16-11-12-21-18(3)26-24(27-22(21)14-16)28-13-7-10-20(15-28)23(29)25-17(2)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17,20H,7,10,13,15H2,1-3H3,(H,25,29)/t17-,20?/m0/s1
InChIKey:
IRNQSIKZDDOMBV-DIMJTDRSSA-N

Cite this record

CBID:340870 http://www.chembase.cn/molecule-340870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4,7-dimethylquinazolin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
IUPAC Traditional name
1-(4,7-dimethylquinazolin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
Synonyms
1-(4,7-dimethyl-2-quinazolinyl)-N-[(1S*)-1-phenylethyl]-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13940700 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.302894  H Acceptors
H Donor LogD (pH = 5.5) 4.4811006 
LogD (pH = 7.4) 4.640999  Log P 4.6434836 
Molar Refractivity 116.786 cm3 Polarizability 45.54883 Å3
Polar Surface Area 58.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.88  LOG S -6.67 
Polar Surface Area 58.12 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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