N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide

C16H12ClN3O — CID 110858888

IUPACN-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c1-10-15(20-14-8-3-2-7-13(14)18-10)16(21)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,19,21)
InChIKeyUKYVQFIOTDBWMJ-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide

N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide (PubChem CID 110858888) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
PubChem CID110858888
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c1-10-15(20-14-8-3-2-7-13(14)18-10)16(21)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,19,21)
InChIKeyUKYVQFIOTDBWMJ-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365134
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762
5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide
CID 142769243
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide (CID 110858888) is N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide is Cc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide?
The InChIKey is UKYVQFIOTDBWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-15(20-14-8-3-2-7-13(14)18-10)16(21)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide?
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 110858888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).