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

C19H20ClF3N4O — CID 18668759

IUPAC4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc2nc(Cl)c3nc(C(F)(F)F)n(CCC4CCNCC4)c3c2c1
InChIInChI=1S/C19H20ClF3N4O/c1-28-12-2-3-14-13(10-12)16-15(17(20)25-14)26-18(19(21,22)23)27(16)9-6-11-4-7-24-8-5-11/h2-3,10-11,24H,4-9H2,1H3
InChIKeyNKZPEJIIANZKMW-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.66
Rot. Bonds4

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

4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline (PubChem CID 18668759) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline
PubChem CID18668759
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc2nc(Cl)c3nc(C(F)(F)F)n(CCC4CCNCC4)c3c2c1
InChIInChI=1S/C19H20ClF3N4O/c1-28-12-2-3-14-13(10-12)16-15(17(20)25-14)26-18(19(21,22)23)27(16)9-6-11-4-7-24-8-5-11/h2-3,10-11,24H,4-9H2,1H3
InChIKeyNKZPEJIIANZKMW-UHFFFAOYSA-N
XLogP4.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline (CID 18668759) is 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline is COc1ccc2nc(Cl)c3nc(C(F)(F)F)n(CCC4CCNCC4)c3c2c1.
What is the InChIKey of 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline?
The InChIKey is NKZPEJIIANZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-28-12-2-3-14-13(10-12)16-15(17(20)25-14)26-18(19(21,22)23)27(16)9-6-11-4-7-24-8-5-11/h2-3,10-11,24H,4-9H2,1H3.
What are the key properties of 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline?
4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline has a molecular weight of 412.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-1-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 18668759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).