8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide

C16H13N3O2 — CID 171645149

IUPAC8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1c(O)cccc1-c1cc(C(N)=O)cc2nccnc12
InChIInChI=1S/C16H13N3O2/c1-9-11(3-2-4-14(9)20)12-7-10(16(17)21)8-13-15(12)19-6-5-18-13/h2-8,20H,1H3,(H2,17,21)
InChIKeyNMHHGURSFRUFOC-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.41
Rot. Bonds2

About 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide

8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide (PubChem CID 171645149) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide
PubChem CID171645149
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide
SMILESCc1c(O)cccc1-c1cc(C(N)=O)cc2nccnc12
InChIInChI=1S/C16H13N3O2/c1-9-11(3-2-4-14(9)20)12-7-10(16(17)21)8-13-15(12)19-6-5-18-13/h2-8,20H,1H3,(H2,17,21)
InChIKeyNMHHGURSFRUFOC-UHFFFAOYSA-N
XLogP2.41
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303
6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645198
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol
CID 69057591
4-methyl-3-quinolin-4-ylbenzamide
CID 166389470
4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide
CID 54404292
3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
CID 175787265
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol
CID 112681318
3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
CID 145282408
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide (CID 171645149) is 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide is Cc1c(O)cccc1-c1cc(C(N)=O)cc2nccnc12.
What is the InChIKey of 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide?
The InChIKey is NMHHGURSFRUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-11(3-2-4-14(9)20)12-7-10(16(17)21)8-13-15(12)19-6-5-18-13/h2-8,20H,1H3,(H2,17,21).
What are the key properties of 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide?
8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 171645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).