4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

C21H24N4 — CID 70726995

IUPAC4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc2c(N3CCCC(c4nccn4CC4CC4)C3)ccnc2c1
InChIInChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2
InChIKeyMSYSQNVXCJKLRE-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.23
Rot. Bonds4

About 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (PubChem CID 70726995) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
PubChem CID70726995
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc2c(N3CCCC(c4nccn4CC4CC4)C3)ccnc2c1
InChIInChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2
InChIKeyMSYSQNVXCJKLRE-UHFFFAOYSA-N
XLogP4.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]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 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (CID 70726995) is 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is c1ccc2c(N3CCCC(c4nccn4CC4CC4)C3)ccnc2c1.
What is the InChIKey of 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The InChIKey is MSYSQNVXCJKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2.
What are the key properties of 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline has a molecular weight of 332.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 70726995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).