3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C17H13BrN4O2 — CID 135599858

IUPAC3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1cc(Br)c(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H13BrN4O2/c1-8-6-10(18)13(23)7-12(8)22-16(19)14-15(21-22)9-4-2-3-5-11(9)20-17(14)24/h2-7,23H,19H2,1H3,(H,20,24)
InChIKeyXQSIXOKEJHRZLY-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.23
Rot. Bonds1

About 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599858) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599858
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1cc(Br)c(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H13BrN4O2/c1-8-6-10(18)13(23)7-12(8)22-16(19)14-15(21-22)9-4-2-3-5-11(9)20-17(14)24/h2-7,23H,19H2,1H3,(H,20,24)
InChIKeyXQSIXOKEJHRZLY-UHFFFAOYSA-N
XLogP3.23
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Hydroxy-phenyl)-3-methyl-1,9-dihydro-pyrazolo[3,4-b]quinolin-4-one
CID 135511875
5-Amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide
CID 171827480
3-amino-2-(2-chloro-5-hydroxyphenyl)-2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one
CID 135458167
3-amino-2-(5-hydroxy-2,4-dimethylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135497041
3-amino-2-(5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135502650
3-amino-2-(3-hydroxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599857
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599887
3-amino-2-(3-hydroxyphenyl)-7-nitro-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599930
3-amino-2-(3-hydroxy-2-methylphenyl)-2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one
CID 135599972
3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599982
3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600014
3-amino-2-(4-bromo-5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600030

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599858) is 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1cc(Br)c(O)cc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XQSIXOKEJHRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c1-8-6-10(18)13(23)7-12(8)22-16(19)14-15(21-22)9-4-2-3-5-11(9)20-17(14)24/h2-7,23H,19H2,1H3,(H,20,24).
What are the key properties of 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 385.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromo-5-hydroxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).