5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride

C16H20ClN3O — CID 10380416

IUPAC5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(C)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-4-5-10-19-13-9-7-6-8-12(13)15-14(16(19)20)17-11(2)18(15)3;/h6-9H,4-5,10H2,1-3H3;1H
InChIKeyMIDMCIYKRWTENB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.42
Rot. Bonds3

About 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride

5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 10380416) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID10380416
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCCCCn1c(=O)c2nc(C)n(C)c2c2ccccc21.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-4-5-10-19-13-9-7-6-8-12(13)15-14(16(19)20)17-11(2)18(15)3;/h6-9H,4-5,10H2,1-3H3;1H
InChIKeyMIDMCIYKRWTENB-UHFFFAOYSA-N
XLogP3.42
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-methyl-
CID 3077017
KF 18280
CID 3071941
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(1-methylethyl)-5-phenyl-
CID 3071940
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-butyl-3-methyl-
CID 3071975
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1,8-dimethyl-
CID 3077034
1-methyl-2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190744
6-[(1-allylbenzimidazol-2-yl)methyl]-12H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
CID 71452463
Pyrido[2',1':2,3]imidazo[4,5-c]quinolin-6(5H)-one
CID 616556

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 10380416) is 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride is CCCCn1c(=O)c2nc(C)n(C)c2c2ccccc21.Cl.
What is the InChIKey of 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is MIDMCIYKRWTENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-4-5-10-19-13-9-7-6-8-12(13)15-14(16(19)20)17-11(2)18(15)3;/h6-9H,4-5,10H2,1-3H3;1H.
What are the key properties of 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride?
5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,2-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 10380416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).