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

C19H20ClN3O2 — CID 10089737

IUPAC5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(-c3ccco3)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C19H19N3O2.ClH/c1-3-4-11-22-14-9-6-5-8-13(14)17-16(19(22)23)20-18(21(17)2)15-10-7-12-24-15;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyNJFPOIFTGQHLEV-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.37
Rot. Bonds4

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

5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 10089737) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID10089737
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(-c3ccco3)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C19H19N3O2.ClH/c1-3-4-11-22-14-9-6-5-8-13(14)17-16(19(22)23)20-18(21(17)2)15-10-7-12-24-15;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyNJFPOIFTGQHLEV-UHFFFAOYSA-N
XLogP4.37
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 10089737) is 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is CCCCn1c(=O)c2nc(-c3ccco3)n(C)c2c2ccccc21.Cl.
What is the InChIKey of 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is NJFPOIFTGQHLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.ClH/c1-3-4-11-22-14-9-6-5-8-13(14)17-16(19(22)23)20-18(21(17)2)15-10-7-12-24-15;/h5-10,12H,3-4,11H2,1-2H3;1H.
What are the key properties of 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 10089737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).