N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide

C15H10ClN3O2 — CID 115683240

IUPACN-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H10ClN3O2/c16-12-6-3-7-13(18-12)19-15(21)10-8-14(20)17-11-5-2-1-4-9(10)11/h1-8H,(H,17,20)(H,18,19,21)
InChIKeyASYNAOMZVMXTQN-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.83
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide

N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 115683240) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID115683240
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H10ClN3O2/c16-12-6-3-7-13(18-12)19-15(21)10-8-14(20)17-11-5-2-1-4-9(10)11/h1-8H,(H,17,20)(H,18,19,21)
InChIKeyASYNAOMZVMXTQN-UHFFFAOYSA-N
XLogP2.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 29127344
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167879450
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide (CID 115683240) is N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cccc(Cl)n1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ASYNAOMZVMXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-6-3-7-13(18-12)19-15(21)10-8-14(20)17-11-5-2-1-4-9(10)11/h1-8H,(H,17,20)(H,18,19,21).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 115683240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).