8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

C20H23ClN4 — CID 72919508

IUPAC8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3
InChIKeyVHHBGJYOYSIKFE-UHFFFAOYSA-N
MW354.89 g/mol
LogP5.05
Rot. Bonds3

About 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (PubChem CID 72919508) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
PubChem CID72919508
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3
InChIKeyVHHBGJYOYSIKFE-UHFFFAOYSA-N
XLogP5.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.89
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-2-[3-(1-propan-2-ylimidazol-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 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The IUPAC name of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (CID 72919508) is 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is CC(C)n1ccnc1C1CCCN(c2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The InChIKey is VHHBGJYOYSIKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-14(2)25-12-10-22-20(25)16-6-4-11-24(13-16)18-9-8-15-5-3-7-17(21)19(15)23-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3.
What are the key properties of 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline has a molecular weight of 354.89 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 72919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).