2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline

C20H25N3O — CID 69192701

IUPAC2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3ccccc3c2n1CC1CCOCC1
InChIInChI=1S/C20H25N3O/c1-2-3-8-19-22-18-13-21-17-7-5-4-6-16(17)20(18)23(19)14-15-9-11-24-12-10-15/h4-7,13,15H,2-3,8-12,14H2,1H3
InChIKeyMJDFKSHBADVIKL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.35
Rot. Bonds5

About 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline

2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline (PubChem CID 69192701) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline
PubChem CID69192701
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3ccccc3c2n1CC1CCOCC1
InChIInChI=1S/C20H25N3O/c1-2-3-8-19-22-18-13-21-17-7-5-4-6-16(17)20(18)23(19)14-15-9-11-24-12-10-15/h4-7,13,15H,2-3,8-12,14H2,1H3
InChIKeyMJDFKSHBADVIKL-UHFFFAOYSA-N
XLogP4.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]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 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline (CID 69192701) is 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline is CCCCc1nc2cnc3ccccc3c2n1CC1CCOCC1.
What is the InChIKey of 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline?
The InChIKey is MJDFKSHBADVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-3-8-19-22-18-13-21-17-7-5-4-6-16(17)20(18)23(19)14-15-9-11-24-12-10-15/h4-7,13,15H,2-3,8-12,14H2,1H3.
What are the key properties of 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline?
2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline has a molecular weight of 323.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 69192701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).