1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one

C14H13N3O — CID 117030560

IUPAC1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
SMILESNc1cccc(N2C(=O)CNc3ccccc32)c1
InChIInChI=1S/C14H13N3O/c15-10-4-3-5-11(8-10)17-13-7-2-1-6-12(13)16-9-14(17)18/h1-8,16H,9,15H2
InChIKeyZNYRLZBIOGXFSZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.36
Rot. Bonds1

About 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one

1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117030560) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117030560
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
SMILESNc1cccc(N2C(=O)CNc3ccccc32)c1
InChIInChI=1S/C14H13N3O/c15-10-4-3-5-11(8-10)17-13-7-2-1-6-12(13)16-9-14(17)18/h1-8,16H,9,15H2
InChIKeyZNYRLZBIOGXFSZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)phenyl]-3,4-dihydroquinoxalin-2-one
CID 117030564
1-(3-aminophenyl)-4-methyl-3H-quinoxalin-2-one
CID 117030723
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
1-(2-bromophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006515
1-(2-chlorophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006502
1-oxido-3,4-dihydroquinoxalin-2-one
CID 87723963
(15R,19S)-17-(3-aminophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1102499
3-(3-aminophenyl)-1-(3-chlorophenyl)imidazolidine-2,4-dione
CID 60835954
7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006327
3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione
CID 62882800
4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007033

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one (CID 117030560) is 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one is Nc1cccc(N2C(=O)CNc3ccccc32)c1.
What is the InChIKey of 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is ZNYRLZBIOGXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-4-3-5-11(8-10)17-13-7-2-1-6-12(13)16-9-14(17)18/h1-8,16H,9,15H2.
What are the key properties of 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one?
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).