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

C25H20ClN3O2 — CID 171514440

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-11-19(31-2)12-9-16)27-23-24(28)20-13-10-17(26)15-21(20)29(25(23)30)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3
InChIKeyYGIINJURQZEGIZ-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.13
Rot. Bonds4

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

7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514440) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID171514440
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-11-19(31-2)12-9-16)27-23-24(28)20-13-10-17(26)15-21(20)29(25(23)30)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3
InChIKeyYGIINJURQZEGIZ-UHFFFAOYSA-N
XLogP5.13
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.13
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-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 171514440) is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is YGIINJURQZEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-11-19(31-2)12-9-16)27-23-24(28)20-13-10-17(26)15-21(20)29(25(23)30)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 429.91 g/mol, XLogP of 5.13, 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-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).