8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C16H16BrN3O — CID 136505472

IUPAC8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(CC4CCC4)c3c2cc1Br
InChIInChI=1S/C16H16BrN3O/c1-9-5-14-11(6-13(9)17)15-12(16(21)19-14)7-18-20(15)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,19,21)
InChIKeyFHOGURINKDJOFP-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.75
Rot. Bonds2

About 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505472) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505472
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(CC4CCC4)c3c2cc1Br
InChIInChI=1S/C16H16BrN3O/c1-9-5-14-11(6-13(9)17)15-12(16(21)19-14)7-18-20(15)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,19,21)
InChIKeyFHOGURINKDJOFP-UHFFFAOYSA-N
XLogP3.75
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-1-cyclopentyl-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505471
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619019
1-(cyclobutylmethyl)-8-[(3R)-4-(4-methoxybutyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 162337000
7-methyl-1-(oxan-4-ylmethyl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505596
1-(cyclopropylmethyl)-8-[(2S,5R)-4-(4-methoxybutyl)-2,5-dimethylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136618954
2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
CID 59177878
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
8-[4-(2-ethoxyethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136618931
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylethylamino)pyridazin-3-one
CID 114442342
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505472) is 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(CC4CCC4)c3c2cc1Br.
What is the InChIKey of 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is FHOGURINKDJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-9-5-14-11(6-13(9)17)15-12(16(21)19-14)7-18-20(15)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,19,21).
What are the key properties of 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 346.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).