N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide

C16H13N3O2 — CID 53016080

IUPACN-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCc1cccc(NC(=O)c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C16H13N3O2/c1-10-5-4-6-11(9-10)17-15(20)14-16(21)19-13-8-3-2-7-12(13)18-14/h2-9H,1H3,(H,17,20)(H,19,21)
InChIKeyFJSLZHIBZNWVBZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

About N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide

N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 53016080) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID53016080
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCc1cccc(NC(=O)c2nc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C16H13N3O2/c1-10-5-4-6-11(9-10)17-15(20)14-16(21)19-13-8-3-2-7-12(13)18-14/h2-9H,1H3,(H,17,20)(H,19,21)
InChIKeyFJSLZHIBZNWVBZ-UHFFFAOYSA-N
XLogP2.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide (CID 53016080) is N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide is Cc1cccc(NC(=O)c2nc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is FJSLZHIBZNWVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-5-4-6-11(9-10)17-15(20)14-16(21)19-13-8-3-2-7-12(13)18-14/h2-9H,1H3,(H,17,20)(H,19,21).
What are the key properties of N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide?
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 53016080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).