2-butyl-4-methylquinoline

C14H17N — CID 504073

IUPAC2-butyl-4-methylquinoline
SMILESCCCCc1cc(C)c2ccccc2n1
InChIInChI=1S/C14H17N/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(13)15-12/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyUSIXUWHLQIYKPS-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.89
Rot. Bonds3

About 2-butyl-4-methylquinoline

2-butyl-4-methylquinoline (PubChem CID 504073) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-butyl-4-methylquinoline.

Molecular Properties

Compound Name2-butyl-4-methylquinoline
PubChem CID504073
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-butyl-4-methylquinoline
SMILESCCCCc1cc(C)c2ccccc2n1
InChIInChI=1S/C14H17N/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(13)15-12/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyUSIXUWHLQIYKPS-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-4-methylquinoline 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 2-butyl-4-methylquinoline?
The IUPAC name of 2-butyl-4-methylquinoline (CID 504073) is 2-butyl-4-methylquinoline.
What is the SMILES notation for 2-butyl-4-methylquinoline?
The canonical SMILES for 2-butyl-4-methylquinoline is CCCCc1cc(C)c2ccccc2n1.
What is the InChIKey of 2-butyl-4-methylquinoline?
The InChIKey is USIXUWHLQIYKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(13)15-12/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-4-methylquinoline?
2-butyl-4-methylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methylquinoline is sourced from PubChem (CID 504073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).