N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C15H12ClN3O2 — CID 102712636

IUPACN-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccnc(Cl)c3)ccc2N1
InChIInChI=1S/C15H12ClN3O2/c16-13-8-11(5-6-17-13)18-15(21)10-1-3-12-9(7-10)2-4-14(20)19-12/h1,3,5-8H,2,4H2,(H,19,20)(H,17,18,21)
InChIKeyVNCSLQVPAPMHGZ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.87
Rot. Bonds2

About N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 102712636) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID102712636
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccnc(Cl)c3)ccc2N1
InChIInChI=1S/C15H12ClN3O2/c16-13-8-11(5-6-17-13)18-15(21)10-1-3-12-9(7-10)2-4-14(20)19-12/h1,3,5-8H,2,4H2,(H,19,20)(H,17,18,21)
InChIKeyVNCSLQVPAPMHGZ-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.87
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-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazine-2-carboxamide
CID 103817140
N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784501
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103857166
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
6-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
CID 62235449
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 102712636) is N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)Nc3ccnc(Cl)c3)ccc2N1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is VNCSLQVPAPMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-13-8-11(5-6-17-13)18-15(21)10-1-3-12-9(7-10)2-4-14(20)19-12/h1,3,5-8H,2,4H2,(H,19,20)(H,17,18,21).
What are the key properties of N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 102712636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).