4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile

C15H10FN3O — CID 117007033

IUPAC4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1cccc(F)c1)C(=O)CN2
InChIInChI=1S/C15H10FN3O/c16-11-2-1-3-12(7-11)19-14-6-10(8-17)4-5-13(14)18-9-15(19)20/h1-7,18H,9H2
InChIKeyGMNCXEMONHOPKM-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.79
Rot. Bonds1

About 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile

4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile (PubChem CID 117007033) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
PubChem CID117007033
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1cccc(F)c1)C(=O)CN2
InChIInChI=1S/C15H10FN3O/c16-11-2-1-3-12(7-11)19-14-6-10(8-17)4-5-13(14)18-9-15(19)20/h1-7,18H,9H2
InChIKeyGMNCXEMONHOPKM-UHFFFAOYSA-N
XLogP2.79
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007035
2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile
CID 117031304
5-(3-fluorophenyl)-7,8-dihydropteridin-6-one
CID 140718697
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124
4-(2-methylpropyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007008
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile
CID 117031312
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
4-(3-methylbutyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007024
7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006327
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
3-(7-cyano-2-oxo-3,4-dihydroquinoxalin-1-yl)butanoic acid
CID 117031298

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile (CID 117007033) is 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(c1cccc(F)c1)C(=O)CN2.
What is the InChIKey of 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile?
The InChIKey is GMNCXEMONHOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-11-2-1-3-12(7-11)19-14-6-10(8-17)4-5-13(14)18-9-15(19)20/h1-7,18H,9H2.
What are the key properties of 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile?
4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117007033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).