N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide

C16H11ClN2O3 — CID 29127344

IUPACN-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H11ClN2O3/c17-9-5-6-14(20)13(7-9)19-16(22)11-8-15(21)18-12-4-2-1-3-10(11)12/h1-8,20H,(H,18,21)(H,19,22)
InChIKeyLVPCSGYLCDMHDP-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.14
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 29127344) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID29127344
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H11ClN2O3/c17-9-5-6-14(20)13(7-9)19-16(22)11-8-15(21)18-12-4-2-1-3-10(11)12/h1-8,20H,(H,18,21)(H,19,22)
InChIKeyLVPCSGYLCDMHDP-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
CID 167977825
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 115683240
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 29127344) is N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LVPCSGYLCDMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-9-5-6-14(20)13(7-9)19-16(22)11-8-15(21)18-12-4-2-1-3-10(11)12/h1-8,20H,(H,18,21)(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 29127344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).