4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline

C18H11ClF3N3O — CID 59333318

IUPAC4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C18H11ClF3N3O/c1-26-12-5-3-11(4-6-12)25-9-23-15-16(25)13-7-2-10(18(20,21)22)8-14(13)24-17(15)19/h2-9H,1H3
InChIKeyZQURVCYXMJECDW-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.25
Rot. Bonds2

About 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline

4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline (PubChem CID 59333318) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline
PubChem CID59333318
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC Name4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C18H11ClF3N3O/c1-26-12-5-3-11(4-6-12)25-9-23-15-16(25)13-7-2-10(18(20,21)22)8-14(13)24-17(15)19/h2-9H,1H3
InChIKeyZQURVCYXMJECDW-UHFFFAOYSA-N
XLogP5.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.25
H-Bond Donors ≤ 50
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-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline (CID 59333318) is 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline is COc1ccc(-n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)cc1.
What is the InChIKey of 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline?
The InChIKey is ZQURVCYXMJECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c1-26-12-5-3-11(4-6-12)25-9-23-15-16(25)13-7-2-10(18(20,21)22)8-14(13)24-17(15)19/h2-9H,1H3.
What are the key properties of 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline?
4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline has a molecular weight of 377.75 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 59333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).