7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one

C26H19ClF3N3O2 — CID 171514473

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C26H19ClF3N3O2/c1-32-22(13-15-7-10-17(35-2)11-8-15)31-23-24(32)18-12-9-16(27)14-21(18)33(25(23)34)20-6-4-3-5-19(20)26(28,29)30/h3-12,14H,13H2,1-2H3
InChIKeyAQHAIVSJOUHJLY-UHFFFAOYSA-N
MW497.90 g/mol
LogP6.15
Rot. Bonds4

About 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one

7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one (PubChem CID 171514473) has the molecular formula C26H19ClF3N3O2 and a molecular weight of 497.90 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one
PubChem CID171514473
Molecular FormulaC26H19ClF3N3O2
Molecular Weight497.90 g/mol
Exact Mass497.11
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C26H19ClF3N3O2/c1-32-22(13-15-7-10-17(35-2)11-8-15)31-23-24(32)18-12-9-16(27)14-21(18)33(25(23)34)20-6-4-3-5-19(20)26(28,29)30/h3-12,14H,13H2,1-2H3
InChIKeyAQHAIVSJOUHJLY-UHFFFAOYSA-N
XLogP6.15
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.90
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one (CID 171514473) is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4ccccc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one?
The InChIKey is AQHAIVSJOUHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N3O2/c1-32-22(13-15-7-10-17(35-2)11-8-15)31-23-24(32)18-12-9-16(27)14-21(18)33(25(23)34)20-6-4-3-5-19(20)26(28,29)30/h3-12,14H,13H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one has a molecular weight of 497.90 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).