4-(3-methylquinoxalin-2-yl)benzonitrile

C16H11N3 — CID 58090541

IUPAC4-(3-methylquinoxalin-2-yl)benzonitrile
SMILESCc1nc2ccccc2nc1-c1ccc(C#N)cc1
InChIInChI=1S/C16H11N3/c1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11/h2-9H,1H3
InChIKeyFKBVGNAWHWNKJC-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.48
Rot. Bonds1

About 4-(3-methylquinoxalin-2-yl)benzonitrile

4-(3-methylquinoxalin-2-yl)benzonitrile (PubChem CID 58090541) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(3-methylquinoxalin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-methylquinoxalin-2-yl)benzonitrile
PubChem CID58090541
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name4-(3-methylquinoxalin-2-yl)benzonitrile
SMILESCc1nc2ccccc2nc1-c1ccc(C#N)cc1
InChIInChI=1S/C16H11N3/c1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11/h2-9H,1H3
InChIKeyFKBVGNAWHWNKJC-UHFFFAOYSA-N
XLogP3.48
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylquinoxalin-2-yl)benzonitrile?
The IUPAC name of 4-(3-methylquinoxalin-2-yl)benzonitrile (CID 58090541) is 4-(3-methylquinoxalin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-methylquinoxalin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-methylquinoxalin-2-yl)benzonitrile is Cc1nc2ccccc2nc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(3-methylquinoxalin-2-yl)benzonitrile?
The InChIKey is FKBVGNAWHWNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-11-16(13-8-6-12(10-17)7-9-13)19-15-5-3-2-4-14(15)18-11/h2-9H,1H3.
What are the key properties of 4-(3-methylquinoxalin-2-yl)benzonitrile?
4-(3-methylquinoxalin-2-yl)benzonitrile has a molecular weight of 245.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylquinoxalin-2-yl)benzonitrile is sourced from PubChem (CID 58090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).