6-butyl-2-methylquinoline-4-carbonitrile

C15H16N2 — CID 82573302

IUPAC6-butyl-2-methylquinoline-4-carbonitrile
SMILESCCCCc1ccc2nc(C)cc(C#N)c2c1
InChIInChI=1S/C15H16N2/c1-3-4-5-12-6-7-15-14(9-12)13(10-16)8-11(2)17-15/h6-9H,3-5H2,1-2H3
InChIKeyBVKIPXBNRBYALP-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.76
Rot. Bonds3

About 6-butyl-2-methylquinoline-4-carbonitrile

6-butyl-2-methylquinoline-4-carbonitrile (PubChem CID 82573302) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-butyl-2-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-butyl-2-methylquinoline-4-carbonitrile
PubChem CID82573302
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name6-butyl-2-methylquinoline-4-carbonitrile
SMILESCCCCc1ccc2nc(C)cc(C#N)c2c1
InChIInChI=1S/C15H16N2/c1-3-4-5-12-6-7-15-14(9-12)13(10-16)8-11(2)17-15/h6-9H,3-5H2,1-2H3
InChIKeyBVKIPXBNRBYALP-UHFFFAOYSA-N
XLogP3.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-butyl-2-methylquinoline-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-methylquinoline-4-carbonitrile?
The IUPAC name of 6-butyl-2-methylquinoline-4-carbonitrile (CID 82573302) is 6-butyl-2-methylquinoline-4-carbonitrile.
What is the SMILES notation for 6-butyl-2-methylquinoline-4-carbonitrile?
The canonical SMILES for 6-butyl-2-methylquinoline-4-carbonitrile is CCCCc1ccc2nc(C)cc(C#N)c2c1.
What is the InChIKey of 6-butyl-2-methylquinoline-4-carbonitrile?
The InChIKey is BVKIPXBNRBYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-4-5-12-6-7-15-14(9-12)13(10-16)8-11(2)17-15/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-butyl-2-methylquinoline-4-carbonitrile?
6-butyl-2-methylquinoline-4-carbonitrile has a molecular weight of 224.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-methylquinoline-4-carbonitrile is sourced from PubChem (CID 82573302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).