6-chloro-4-oxo-1H-quinoline-3-carboxamide

C10H7ClN2O2 — CID 601266

IUPAC6-chloro-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H7ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H2,12,15)(H,13,14)
InChIKeyYOAZCPUKUKLHTD-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.28
Rot. Bonds1

About 6-chloro-4-oxo-1H-quinoline-3-carboxamide

6-chloro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 601266) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-chloro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID601266
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name6-chloro-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H7ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H2,12,15)(H,13,14)
InChIKeyYOAZCPUKUKLHTD-UHFFFAOYSA-N
XLogP1.28
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-iodo-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 143617147
6-chloro-1H-indole-3-carboxamide
CID 130666489
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 57291350
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-4-oxo-1H-quinoline-3-carboxamide (CID 601266) is 6-chloro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-4-oxo-1H-quinoline-3-carboxamide is NC(=O)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YOAZCPUKUKLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H2,12,15)(H,13,14).
What are the key properties of 6-chloro-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 222.63 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 601266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).