N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide

C15H9Cl2N3O2 — CID 87101826

IUPACN-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(Cl)cnc1Cl)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H9Cl2N3O2/c16-8-5-12(14(17)19-6-8)20-15(22)10-7-18-11-4-2-1-3-9(11)13(10)21/h1-7H,(H,18,21)(H,20,22)
InChIKeySULWDSBQPIPYAP-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.48
Rot. Bonds2

About N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide

N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 87101826) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID87101826
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC NameN-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(Cl)cnc1Cl)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H9Cl2N3O2/c16-8-5-12(14(17)19-6-8)20-15(22)10-7-18-11-4-2-1-3-9(11)13(10)21/h1-7H,(H,18,21)(H,20,22)
InChIKeySULWDSBQPIPYAP-UHFFFAOYSA-N
XLogP3.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.48
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-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-[4-[dimethyl(trideuteriomethyl)silyl]-5-hydroxy-2-[methyl-bis(trideuteriomethyl)silyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 161023166
N-[2-(furan-3-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675664
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide (CID 87101826) is N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cc(Cl)cnc1Cl)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SULWDSBQPIPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-8-5-12(14(17)19-6-8)20-15(22)10-7-18-11-4-2-1-3-9(11)13(10)21/h1-7H,(H,18,21)(H,20,22).
What are the key properties of N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 87101826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).