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

C25H20ClN3O2 — CID 171514437

IUPAC7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccccc1Cc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-6-7-11-21(16)31-2)27-23-24(28)19-13-12-17(26)15-20(19)29(25(23)30)18-9-4-3-5-10-18/h3-13,15H,14H2,1-2H3
InChIKeyYBUZOAFUWSLRQE-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.13
Rot. Bonds4

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

7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514437) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID171514437
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccccc1Cc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-6-7-11-21(16)31-2)27-23-24(28)19-13-12-17(26)15-20(19)29(25(23)30)18-9-4-3-5-10-18/h3-13,15H,14H2,1-2H3
InChIKeyYBUZOAFUWSLRQE-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-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 171514437) is 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COc1ccccc1Cc1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C.
What is the InChIKey of 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is YBUZOAFUWSLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-28-22(14-16-8-6-7-11-21(16)31-2)27-23-24(28)19-13-12-17(26)15-20(19)29(25(23)30)18-9-4-3-5-10-18/h3-13,15H,14H2,1-2H3.
What are the key properties of 7-chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(2-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-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).