N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide

C16H12ClN3O2 — CID 110690558

IUPACN-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-22-15-5-3-11(9-12(15)17)20-16(21)10-2-4-13-14(8-10)19-7-6-18-13/h2-9H,1H3,(H,20,21)
InChIKeyUTPFTWWHXFWGDX-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.54
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide

N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 110690558) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
PubChem CID110690558
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-22-15-5-3-11(9-12(15)17)20-16(21)10-2-4-13-14(8-10)19-7-6-18-13/h2-9H,1H3,(H,20,21)
InChIKeyUTPFTWWHXFWGDX-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide (CID 110690558) is N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide is COc1ccc(NC(=O)c2ccc3nccnc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is UTPFTWWHXFWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-22-15-5-3-11(9-12(15)17)20-16(21)10-2-4-13-14(8-10)19-7-6-18-13/h2-9H,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide?
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 110690558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).