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

C25H20ClN3O2 — CID 171514436

IUPAC7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2nc3c(=O)n(-c4ccccc4C)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H20ClN3O2/c1-15-6-4-5-7-20(15)29-21-14-17(26)10-13-19(21)23-22(25(29)30)27-24(28(23)2)16-8-11-18(31-3)12-9-16/h4-14H,1-3H3
InChIKeyJUKHYFXDPJSPLT-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.51
Rot. Bonds3

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

7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one (PubChem CID 171514436) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one
PubChem CID171514436
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2nc3c(=O)n(-c4ccccc4C)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H20ClN3O2/c1-15-6-4-5-7-20(15)29-21-14-17(26)10-13-19(21)23-22(25(29)30)27-24(28(23)2)16-8-11-18(31-3)12-9-16/h4-14H,1-3H3
InChIKeyJUKHYFXDPJSPLT-UHFFFAOYSA-N
XLogP5.51
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.51
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)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one (CID 171514436) is 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one is COc1ccc(-c2nc3c(=O)n(-c4ccccc4C)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one?
The InChIKey is JUKHYFXDPJSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-15-6-4-5-7-20(15)29-21-14-17(26)10-13-19(21)23-22(25(29)30)27-24(28(23)2)16-8-11-18(31-3)12-9-16/h4-14H,1-3H3.
What are the key properties of 7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one?
7-chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one has a molecular weight of 429.91 g/mol, XLogP of 5.51, 3 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)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).