5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C22H24ClN3O2 — CID 10430948

IUPAC5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(-c3ccc(OC)cc3)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-4-5-14-25-18-9-7-6-8-17(18)20-19(22(25)26)23-21(24(20)2)15-10-12-16(27-3)13-11-15;/h6-13H,4-5,14H2,1-3H3;1H
InChIKeyGZUFYTUGWVZISY-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.79
Rot. Bonds5

About 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 10430948) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID10430948
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(-c3ccc(OC)cc3)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-4-5-14-25-18-9-7-6-8-17(18)20-19(22(25)26)23-21(24(20)2)15-10-12-16(27-3)13-11-15;/h6-13H,4-5,14H2,1-3H3;1H
InChIKeyGZUFYTUGWVZISY-UHFFFAOYSA-N
XLogP4.79
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9870718
3-(4-Methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
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CID 10569929
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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 10430948) is 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is CCCCn1c(=O)c2nc(-c3ccc(OC)cc3)n(C)c2c2ccccc21.Cl.
What is the InChIKey of 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is GZUFYTUGWVZISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-4-5-14-25-18-9-7-6-8-17(18)20-19(22(25)26)23-21(24(20)2)15-10-12-16(27-3)13-11-15;/h6-13H,4-5,14H2,1-3H3;1H.
What are the key properties of 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 10430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).