3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide

C14H12N4O2 — CID 170568767

IUPAC3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1
InChIInChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyQNEZRMSEABVPPQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.07
Rot. Bonds1

About 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide

3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 170568767) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID170568767
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1
InChIInChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyQNEZRMSEABVPPQ-UHFFFAOYSA-N
XLogP2.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
CID 170568802
N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 84524812
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 62170717
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
(2S)-2-hydroxy-4-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107838228
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide (CID 170568767) is 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide is O=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1.
What is the InChIKey of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is QNEZRMSEABVPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19).
What are the key properties of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170568767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).