6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one

C12H10BrN3O — CID 137103614

IUPAC6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one
SMILESCc1nn(C)c2cc3[nH]c(=O)c(Br)cc3cc12
InChIInChI=1S/C12H10BrN3O/c1-6-8-3-7-4-9(13)12(17)14-10(7)5-11(8)16(2)15-6/h3-5H,1-2H3,(H,14,17)
InChIKeyOEQAAIJTMACXBI-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.49
Rot. Bonds

About 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one

6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one (PubChem CID 137103614) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one
PubChem CID137103614
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one
SMILESCc1nn(C)c2cc3[nH]c(=O)c(Br)cc3cc12
InChIInChI=1S/C12H10BrN3O/c1-6-8-3-7-4-9(13)12(17)14-10(7)5-11(8)16(2)15-6/h3-5H,1-2H3,(H,14,17)
InChIKeyOEQAAIJTMACXBI-UHFFFAOYSA-N
XLogP2.49
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-(2-methyl-4-pyridinyl)-1-trityl-8H-pyrazolo[4,5-g]quinolin-7-one
CID 137006665
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 177233940
6-chloro-1,3-dimethylindazole-5-carbaldehyde
CID 117109823
1,3-dimethyl-6H-pyrazolo[5,4-c]pyridin-7-one
CID 178149045
6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874508
6-fluoro-1,3-dimethylindazole
CID 59514053
6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59258909
1,3-dimethyl-5-propan-2-ylindazole;3-iodo-1-methyl-5-propan-2-ylindazole
CID 158986215
2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid
CID 81346417
5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one?
The IUPAC name of 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one (CID 137103614) is 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one is Cc1nn(C)c2cc3[nH]c(=O)c(Br)cc3cc12.
What is the InChIKey of 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one?
The InChIKey is OEQAAIJTMACXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-6-8-3-7-4-9(13)12(17)14-10(7)5-11(8)16(2)15-6/h3-5H,1-2H3,(H,14,17).
What are the key properties of 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one?
6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one has a molecular weight of 292.14 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 137103614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).