4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile

C15H13N3 — CID 117007124

IUPAC4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccccc1)CCN2
InChIInChI=1S/C15H13N3/c16-11-12-6-7-14-15(10-12)18(9-8-17-14)13-4-2-1-3-5-13/h1-7,10,17H,8-9H2
InChIKeyHKOYJSLXDRQFSN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.12
Rot. Bonds1

About 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile

4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 117007124) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID117007124
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccccc1)CCN2
InChIInChI=1S/C15H13N3/c16-11-12-6-7-14-15(10-12)18(9-8-17-14)13-4-2-1-3-5-13/h1-7,10,17H,8-9H2
InChIKeyHKOYJSLXDRQFSN-UHFFFAOYSA-N
XLogP3.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile (CID 117007124) is 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(c1ccccc1)CCN2.
What is the InChIKey of 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is HKOYJSLXDRQFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-11-12-6-7-14-15(10-12)18(9-8-17-14)13-4-2-1-3-5-13/h1-7,10,17H,8-9H2.
What are the key properties of 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).