7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide

C17H12ClN3O3 — CID 57291350

IUPAC7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(C(N=O)c3ccc(Cl)cc3)ccc2c1=O
InChIInChI=1S/C17H12ClN3O3/c18-11-4-1-9(2-5-11)15(21-24)10-3-6-12-14(7-10)20-8-13(16(12)22)17(19)23/h1-8,15H,(H2,19,23)(H,20,22)
InChIKeyQLVUXJWFMZFIIM-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.14
Rot. Bonds4

About 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide

7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 57291350) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID57291350
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(C(N=O)c3ccc(Cl)cc3)ccc2c1=O
InChIInChI=1S/C17H12ClN3O3/c18-11-4-1-9(2-5-11)15(21-24)10-3-6-12-14(7-10)20-8-13(16(12)22)17(19)23/h1-8,15H,(H2,19,23)(H,20,22)
InChIKeyQLVUXJWFMZFIIM-UHFFFAOYSA-N
XLogP3.14
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
6-chloro-1H-indole-3-carboxamide
CID 130666489
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
6-iodo-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 143617147
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
4-oxo-7-(1,2,3-trihydroxypropyl)-1H-quinoline-3-carboxylic acid
CID 170818857
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 69006677
CID 170645729
CID 170645729
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 57291350) is 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide is NC(=O)c1c[nH]c2cc(C(N=O)c3ccc(Cl)cc3)ccc2c1=O.
What is the InChIKey of 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QLVUXJWFMZFIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-11-4-1-9(2-5-11)15(21-24)10-3-6-12-14(7-10)20-8-13(16(12)22)17(19)23/h1-8,15H,(H2,19,23)(H,20,22).
What are the key properties of 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide?
7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-nitrosomethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 57291350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).