N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide

C16H13N3O2 — CID 136756008

IUPACN-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nccnc23)c(O)c1
InChIInChI=1S/C16H13N3O2/c1-10-5-6-12(14(20)9-10)19-16(21)11-3-2-4-13-15(11)18-8-7-17-13/h2-9,20H,1H3,(H,19,21)
InChIKeyNUCLVEUWEYUBJE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.90
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide

N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide (PubChem CID 136756008) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
PubChem CID136756008
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nccnc23)c(O)c1
InChIInChI=1S/C16H13N3O2/c1-10-5-6-12(14(20)9-10)19-16(21)11-3-2-4-13-15(11)18-8-7-17-13/h2-9,20H,1H3,(H,19,21)
InChIKeyNUCLVEUWEYUBJE-UHFFFAOYSA-N
XLogP2.90
TPSA75.11 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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
CID 50959610
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
CID 112796017

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide (CID 136756008) is N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3nccnc23)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide?
The InChIKey is NUCLVEUWEYUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-5-6-12(14(20)9-10)19-16(21)11-3-2-4-13-15(11)18-8-7-17-13/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide?
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 136756008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).