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

C16H13N3O2 — CID 15906060

IUPAC3-(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccc(C(N)=O)cc3n2)cc1
InChIInChI=1S/C16H13N3O2/c1-21-12-5-2-10(3-6-12)15-9-18-13-7-4-11(16(17)20)8-14(13)19-15/h2-9H,1H3,(H2,17,20)
InChIKeyAYZAZRJBXLASDN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.40
Rot. Bonds3

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

3-(4-methoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 15906060) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)quinoxaline-6-carboxamide
PubChem CID15906060
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2cnc3ccc(C(N)=O)cc3n2)cc1
InChIInChI=1S/C16H13N3O2/c1-21-12-5-2-10(3-6-12)15-9-18-13-7-4-11(16(17)20)8-14(13)19-15/h2-9H,1H3,(H2,17,20)
InChIKeyAYZAZRJBXLASDN-UHFFFAOYSA-N
XLogP2.40
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-6,7-dimethylquinoxaline
CID 102082916
3-(methoxymethyl)quinoxaline-6-carboxamide
CID 175844720
3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
CID 146673768
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
CID 162733624
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039
2-methylquinoxaline-6-carboxamide
CID 89421881
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
(4-quinoxalin-2-ylphenyl) 4-methylbenzoate
CID 1115480
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
4-(6-methoxyquinolin-2-yl)benzenecarbothioamide
CID 87223412
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)quinoxaline-6-carboxamide (CID 15906060) is 3-(4-methoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)quinoxaline-6-carboxamide is COc1ccc(-c2cnc3ccc(C(N)=O)cc3n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is AYZAZRJBXLASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-12-5-2-10(3-6-12)15-9-18-13-7-4-11(16(17)20)8-14(13)19-15/h2-9H,1H3,(H2,17,20).
What are the key properties of 3-(4-methoxyphenyl)quinoxaline-6-carboxamide?
3-(4-methoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 15906060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).