1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one

C22H17N3O2S — CID 134438123

IUPAC1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H17N3O2S/c1-24-20-12-23-19-8-3-14(15-9-10-28-13-15)11-18(19)21(20)25(22(24)26)16-4-6-17(27-2)7-5-16/h3-13H,1-2H3
InChIKeyQLHWCPLNOFUEJX-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.61
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one

1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 134438123) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID134438123
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H17N3O2S/c1-24-20-12-23-19-8-3-14(15-9-10-28-13-15)11-18(19)21(20)25(22(24)26)16-4-6-17(27-2)7-5-16/h3-13H,1-2H3
InChIKeyQLHWCPLNOFUEJX-UHFFFAOYSA-N
XLogP4.61
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one (CID 134438123) is 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is QLHWCPLNOFUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-24-20-12-23-19-8-3-14(15-9-10-28-13-15)11-18(19)21(20)25(22(24)26)16-4-6-17(27-2)7-5-16/h3-13H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one?
1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 387.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134438123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).