3-amino-1-phenylquinoxalin-2-one

C14H11N3O — CID 19045865

IUPAC3-amino-1-phenylquinoxalin-2-one
SMILESNc1nc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C14H11N3O/c15-13-14(18)17(10-6-2-1-3-7-10)12-9-5-4-8-11(12)16-13/h1-9H,(H2,15,16)
InChIKeyCRLWFMUTKNBKJB-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.97
Rot. Bonds1

About 3-amino-1-phenylquinoxalin-2-one

3-amino-1-phenylquinoxalin-2-one (PubChem CID 19045865) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-1-phenylquinoxalin-2-one.

Molecular Properties

Compound Name3-amino-1-phenylquinoxalin-2-one
PubChem CID19045865
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-amino-1-phenylquinoxalin-2-one
SMILESNc1nc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C14H11N3O/c15-13-14(18)17(10-6-2-1-3-7-10)12-9-5-4-8-11(12)16-13/h1-9H,(H2,15,16)
InChIKeyCRLWFMUTKNBKJB-UHFFFAOYSA-N
XLogP1.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6,7-dichloro-1-phenylquinoxalin-2-one
CID 70577319
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-chloro-1-phenylbenzimidazole
CID 12675133
2-bromo-1-phenylbenzimidazole
CID 84810012
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
4,6-diamino-5-phenyl-1,3,5-triazin-2-one
CID 71395620
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154631465
1-phenylbenzimidazole-2-sulfonic acid
CID 2772410
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylquinoxalin-2-one?
The IUPAC name of 3-amino-1-phenylquinoxalin-2-one (CID 19045865) is 3-amino-1-phenylquinoxalin-2-one.
What is the SMILES notation for 3-amino-1-phenylquinoxalin-2-one?
The canonical SMILES for 3-amino-1-phenylquinoxalin-2-one is Nc1nc2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-amino-1-phenylquinoxalin-2-one?
The InChIKey is CRLWFMUTKNBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13-14(18)17(10-6-2-1-3-7-10)12-9-5-4-8-11(12)16-13/h1-9H,(H2,15,16).
What are the key properties of 3-amino-1-phenylquinoxalin-2-one?
3-amino-1-phenylquinoxalin-2-one has a molecular weight of 237.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylquinoxalin-2-one is sourced from PubChem (CID 19045865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).