N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C16H15N3O2 — CID 60639702

IUPACN-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)17-16(21)19-10-15(20)18-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyQILDGDHNCFEWHG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds1

About N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 60639702) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID60639702
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)17-16(21)19-10-15(20)18-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyQILDGDHNCFEWHG-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 170568767
N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 84524812
N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
CID 170568802
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 49424297

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 60639702) is N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is Cc1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is QILDGDHNCFEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)17-16(21)19-10-15(20)18-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 60639702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).