7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C51H37Br2N9O3 — CID 159032736

IUPAC7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(Br)ccc32)c1=O
InChIInChI=1S/2C17H12BrN3O.C17H13N3O/c1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-8-11(18)5-6-13(15)16(14)20-21;1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-8-11(18)6-7-12(14)16(13)20-21;1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12/h2*2-9,20H,1H3;2-10,19H,1H3
InChIKeyBSGIJKUNTZMQTE-UHFFFAOYSA-N
MW983.73 g/mol
LogP11.05
Rot. Bonds3

About 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159032736) has the molecular formula C51H37Br2N9O3 and a molecular weight of 983.73 g/mol. Its IUPAC name is 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID159032736
Molecular FormulaC51H37Br2N9O3
Molecular Weight983.73 g/mol
Exact Mass981.14
IUPAC Name7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(Br)ccc32)c1=O
InChIInChI=1S/2C17H12BrN3O.C17H13N3O/c1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-8-11(18)5-6-13(15)16(14)20-21;1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-8-11(18)6-7-12(14)16(13)20-21;1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12/h2*2-9,20H,1H3;2-10,19H,1H3
InChIKeyBSGIJKUNTZMQTE-UHFFFAOYSA-N
XLogP11.05
TPSA152.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.73
LogP ≤ 511.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 50877243
7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124118065
7-bromo-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124118076
7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508192
7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508231
7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508260
7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508264
7-bromo-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508268
8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157116909
8-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157303205
7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158133410
7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158437988

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159032736) is 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(Br)ccc32)c1=O.
What is the InChIKey of 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BSGIJKUNTZMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12BrN3O.C17H13N3O/c1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-8-11(18)5-6-13(15)16(14)20-21;1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-8-11(18)6-7-12(14)16(13)20-21;1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12/h2*2-9,20H,1H3;2-10,19H,1H3.
What are the key properties of 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 983.73 g/mol, XLogP of 11.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159032736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).