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N-[1-(1,6-dimethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl)piperidin-4-yl]methanesulfonamide

ChemBase ID: 320254
Molecular Formular: C18H23N3O4S
Molecular Mass: 377.45792
Monoisotopic Mass: 377.14092723
SMILES and InChIs

SMILES:
c1(c(=O)c2c(n(c1)C)ccc(c2)C)C(=O)N1CCC(NS(=O)(=O)C)CC1
Canonical SMILES:
Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)N1CCC(CC1)NS(=O)(=O)C
InChI:
InChI=1S/C18H23N3O4S/c1-12-4-5-16-14(10-12)17(22)15(11-20(16)2)18(23)21-8-6-13(7-9-21)19-26(3,24)25/h4-5,10-11,13,19H,6-9H2,1-3H3
InChIKey:
DORGKQQWGAEYAP-UHFFFAOYSA-N

Cite this record

CBID:320254 http://www.chembase.cn/molecule-320254.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(1,6-dimethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl)piperidin-4-yl]methanesulfonamide
IUPAC Traditional name
N-[1-(1,6-dimethyl-4-oxoquinoline-3-carbonyl)piperidin-4-yl]methanesulfonamide
Synonyms
N-{1-[(1,6-dimethyl-4-oxo-1,4-dihydro-3-quinolinyl)carbonyl]-4-piperidinyl}methanesulfonamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 10982603 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.524104  H Acceptors
H Donor LogD (pH = 5.5) 0.051987223 
LogD (pH = 7.4) 0.051970493  Log P 0.051999558 
Molar Refractivity 100.4112 cm3 Polarizability 38.40635 Å3
Polar Surface Area 86.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.05  LOG S -3.22 
Polar Surface Area 88.48 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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