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N-butyl-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpyrrolidine-2-carboxamide

ChemBase ID: 370112
Molecular Formular: C21H30N4O2
Molecular Mass: 370.4885
Monoisotopic Mass: 370.23687622
SMILES and InChIs

SMILES:
c1(N2C(C(=O)N(CCCC)C)CCC2)nc(c2c(n1)ccc(c2)OCC)C
Canonical SMILES:
CCCCN(C(=O)C1CCCN1c1nc(C)c2c(n1)ccc(c2)OCC)C
InChI:
InChI=1S/C21H30N4O2/c1-5-7-12-24(4)20(26)19-9-8-13-25(19)21-22-15(3)17-14-16(27-6-2)10-11-18(17)23-21/h10-11,14,19H,5-9,12-13H2,1-4H3
InChIKey:
TZGAZXPVIUHNRY-UHFFFAOYSA-N

Cite this record

CBID:370112 http://www.chembase.cn/molecule-370112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-butyl-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpyrrolidine-2-carboxamide
IUPAC Traditional name
N-butyl-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpyrrolidine-2-carboxamide
Synonyms
N-butyl-1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-methylprolinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 19.060276  H Acceptors
H Donor LogD (pH = 5.5) 3.5670514 
LogD (pH = 7.4) 3.6019804  Log P 3.602445 
Molar Refractivity 107.8385 cm3 Polarizability 42.203 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.87  LOG S -4.52 
Polar Surface Area 58.56 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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