4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline

C24H25ClN4 — CID 18668766

IUPAC4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
SMILESCc1ccc2nc(Cl)c3nc(-c4ccccc4)n(CCC4CCNCC4)c3c2c1
InChIInChI=1S/C24H25ClN4/c1-16-7-8-20-19(15-16)22-21(23(25)27-20)28-24(18-5-3-2-4-6-18)29(22)14-11-17-9-12-26-13-10-17/h2-8,15,17,26H,9-14H2,1H3
InChIKeyLQROUPTZFXXQFF-UHFFFAOYSA-N
MW404.95 g/mol
LogP5.60
Rot. Bonds4

About 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline

4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline (PubChem CID 18668766) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
PubChem CID18668766
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
SMILESCc1ccc2nc(Cl)c3nc(-c4ccccc4)n(CCC4CCNCC4)c3c2c1
InChIInChI=1S/C24H25ClN4/c1-16-7-8-20-19(15-16)22-21(23(25)27-20)28-24(18-5-3-2-4-6-18)29(22)14-11-17-9-12-26-13-10-17/h2-8,15,17,26H,9-14H2,1H3
InChIKeyLQROUPTZFXXQFF-UHFFFAOYSA-N
XLogP5.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.95
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline (CID 18668766) is 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline is Cc1ccc2nc(Cl)c3nc(-c4ccccc4)n(CCC4CCNCC4)c3c2c1.
What is the InChIKey of 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The InChIKey is LQROUPTZFXXQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4/c1-16-7-8-20-19(15-16)22-21(23(25)27-20)28-24(18-5-3-2-4-6-18)29(22)14-11-17-9-12-26-13-10-17/h2-8,15,17,26H,9-14H2,1H3.
What are the key properties of 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline has a molecular weight of 404.95 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-2-phenyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 18668766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).