3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one

C16H14N4O — CID 142897064

IUPAC3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
SMILESN/C(=C(/N)c1nc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H14N4O/c17-13(10-6-2-1-3-7-10)14(18)15-16(21)20-12-9-5-4-8-11(12)19-15/h1-9H,17-18H2,(H,20,21)/b14-13+
InChIKeyUCIATJFYWCVAMN-BUHFOSPRSA-N
MW278.31 g/mol
LogP1.67
Rot. Bonds2

About 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one

3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one (PubChem CID 142897064) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
PubChem CID142897064
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
SMILESN/C(=C(/N)c1nc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H14N4O/c17-13(10-6-2-1-3-7-10)14(18)15-16(21)20-12-9-5-4-8-11(12)19-15/h1-9H,17-18H2,(H,20,21)/b14-13+
InChIKeyUCIATJFYWCVAMN-BUHFOSPRSA-N
XLogP1.67
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135874837
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
4-[4-[[3-[(E)-1,2-diamino-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]benzoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 142897040
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-[(E)-1,2-diamino-2-[3-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-7-fluoro-1H-quinoxalin-2-one
CID 142897022
(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(E)-1,2-diamino-2-[3-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-7-fluoro-1H-quinoxalin-2-one;N-methylmethanamine
CID 142897021
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one (CID 142897064) is 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one is N/C(=C(/N)c1nc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one?
The InChIKey is UCIATJFYWCVAMN-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13(10-6-2-1-3-7-10)14(18)15-16(21)20-12-9-5-4-8-11(12)19-15/h1-9H,17-18H2,(H,20,21)/b14-13+.
What are the key properties of 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one?
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one has a molecular weight of 278.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 142897064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).