3-butyl-1,2-dimethyl-5H-quinoline

C15H21N — CID 174942679

IUPAC3-butyl-1,2-dimethyl-5H-quinoline
SMILESCCCCC1=C(C)N(C)C2=CC=CCC2=C1
InChIInChI=1S/C15H21N/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(3)12(13)2/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyKFQKWXXXJOZSMD-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.17
Rot. Bonds3

About 3-butyl-1,2-dimethyl-5H-quinoline

3-butyl-1,2-dimethyl-5H-quinoline (PubChem CID 174942679) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-butyl-1,2-dimethyl-5H-quinoline.

Molecular Properties

Compound Name3-butyl-1,2-dimethyl-5H-quinoline
PubChem CID174942679
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-butyl-1,2-dimethyl-5H-quinoline
SMILESCCCCC1=C(C)N(C)C2=CC=CCC2=C1
InChIInChI=1S/C15H21N/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(3)12(13)2/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyKFQKWXXXJOZSMD-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-butyl-1,2-dimethyl-5H-quinoline 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 3-butyl-1,2-dimethyl-5H-quinoline?
The IUPAC name of 3-butyl-1,2-dimethyl-5H-quinoline (CID 174942679) is 3-butyl-1,2-dimethyl-5H-quinoline.
What is the SMILES notation for 3-butyl-1,2-dimethyl-5H-quinoline?
The canonical SMILES for 3-butyl-1,2-dimethyl-5H-quinoline is CCCCC1=C(C)N(C)C2=CC=CCC2=C1.
What is the InChIKey of 3-butyl-1,2-dimethyl-5H-quinoline?
The InChIKey is KFQKWXXXJOZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(3)12(13)2/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 3-butyl-1,2-dimethyl-5H-quinoline?
3-butyl-1,2-dimethyl-5H-quinoline has a molecular weight of 215.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2-dimethyl-5H-quinoline is sourced from PubChem (CID 174942679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).