8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline

C20H23ClN4 — CID 92613141

IUPAC8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
SMILESCc1nccn1C[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-15-22-9-11-25(15)13-16-4-3-10-24(12-16)14-18-8-7-17-5-2-6-19(21)20(17)23-18/h2,5-9,11,16H,3-4,10,12-14H2,1H3/t16-/m1/s1
InChIKeyIOOQUEHIILYDRO-MRXNPFEDSA-N
MW354.89 g/mol
LogP4.31
Rot. Bonds4

About 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline

8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline (PubChem CID 92613141) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
PubChem CID92613141
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
SMILESCc1nccn1C[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-15-22-9-11-25(15)13-16-4-3-10-24(12-16)14-18-8-7-17-5-2-6-19(21)20(17)23-18/h2,5-9,11,16H,3-4,10,12-14H2,1H3/t16-/m1/s1
InChIKeyIOOQUEHIILYDRO-MRXNPFEDSA-N
XLogP4.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]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 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline?
The IUPAC name of 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline (CID 92613141) is 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline is Cc1nccn1C[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline?
The InChIKey is IOOQUEHIILYDRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-15-22-9-11-25(15)13-16-4-3-10-24(12-16)14-18-8-7-17-5-2-6-19(21)20(17)23-18/h2,5-9,11,16H,3-4,10,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline?
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline has a molecular weight of 354.89 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 92613141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).