3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine

C17H20N4 — CID 63969523

IUPAC3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc3ncccc3c2)c1N
InChIInChI=1S/C17H20N4/c1-3-4-10-21-12(2)20-16(17(21)18)14-7-8-15-13(11-14)6-5-9-19-15/h5-9,11H,3-4,10,18H2,1-2H3
InChIKeyHMLUFBPYDIFGSQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.79
Rot. Bonds4

About 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine

3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine (PubChem CID 63969523) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine
PubChem CID63969523
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc3ncccc3c2)c1N
InChIInChI=1S/C17H20N4/c1-3-4-10-21-12(2)20-16(17(21)18)14-7-8-15-13(11-14)6-5-9-19-15/h5-9,11H,3-4,10,18H2,1-2H3
InChIKeyHMLUFBPYDIFGSQ-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine 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-2-methyl-5-quinolin-6-ylimidazol-4-amine?
The IUPAC name of 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine (CID 63969523) is 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine.
What is the SMILES notation for 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine?
The canonical SMILES for 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine is CCCCn1c(C)nc(-c2ccc3ncccc3c2)c1N.
What is the InChIKey of 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine?
The InChIKey is HMLUFBPYDIFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-4-10-21-12(2)20-16(17(21)18)14-7-8-15-13(11-14)6-5-9-19-15/h5-9,11H,3-4,10,18H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine?
3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine is sourced from PubChem (CID 63969523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).