7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one

C25H19ClFN3O2 — CID 171514545

IUPAC7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccc(F)cc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H19ClFN3O2/c1-29-22(13-15-3-10-19(32-2)11-4-15)28-23-24(29)20-12-5-16(26)14-21(20)30(25(23)31)18-8-6-17(27)7-9-18/h3-12,14H,13H2,1-2H3
InChIKeySERFMDKDPABPKY-UHFFFAOYSA-N
MW447.90 g/mol
LogP5.27
Rot. Bonds4

About 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one

7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514545) has the molecular formula C25H19ClFN3O2 and a molecular weight of 447.90 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
PubChem CID171514545
Molecular FormulaC25H19ClFN3O2
Molecular Weight447.90 g/mol
Exact Mass447.11
IUPAC Name7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccc(F)cc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H19ClFN3O2/c1-29-22(13-15-3-10-19(32-2)11-4-15)28-23-24(29)20-12-5-16(26)14-21(20)30(25(23)31)18-8-6-17(27)7-9-18/h3-12,14H,13H2,1-2H3
InChIKeySERFMDKDPABPKY-UHFFFAOYSA-N
XLogP5.27
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.90
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one (CID 171514545) is 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4ccc(F)cc4)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The InChIKey is SERFMDKDPABPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O2/c1-29-22(13-15-3-10-19(32-2)11-4-15)28-23-24(29)20-12-5-16(26)14-21(20)30(25(23)31)18-8-6-17(27)7-9-18/h3-12,14H,13H2,1-2H3.
What are the key properties of 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one has a molecular weight of 447.90 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).