7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

C26H22ClN3O3 — CID 171514424

IUPAC7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1OC
InChIInChI=1S/C26H22ClN3O3/c1-29-23(14-16-9-12-21(32-2)22(13-16)33-3)28-24-25(29)19-11-10-17(27)15-20(19)30(26(24)31)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKeyGMFJIEQSVCFSQD-UHFFFAOYSA-N
MW459.93 g/mol
LogP5.14
Rot. Bonds5

About 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514424) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID171514424
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1OC
InChIInChI=1S/C26H22ClN3O3/c1-29-23(14-16-9-12-21(32-2)22(13-16)33-3)28-24-25(29)19-11-10-17(27)15-20(19)30(26(24)31)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKeyGMFJIEQSVCFSQD-UHFFFAOYSA-N
XLogP5.14
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 171514424) is 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1OC.
What is the InChIKey of 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is GMFJIEQSVCFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-29-23(14-16-9-12-21(32-2)22(13-16)33-3)28-24-25(29)19-11-10-17(27)15-20(19)30(26(24)31)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3.
What are the key properties of 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 459.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).