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

C54H45N9O3 — CID 157303205

IUPAC8-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
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)cc1.Cc1ccc2ncc3c(=O)n(-c4ccccc4C)[nH]c3c2c1.Cc1cccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)c1
InChIInChI=1S/3C18H15N3O/c1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-8-5-12(2)9-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-7-6-12(2)9-14(16)17(15)20-21;1-11-7-8-15-13(9-11)17-14(10-19-15)18(22)21(20-17)16-6-4-3-5-12(16)2/h3*3-10,20H,1-2H3
InChIKeyXKKUTGQODWWBGG-UHFFFAOYSA-N
MW868.01 g/mol
LogP10.45
Rot. Bonds3

About 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

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 (PubChem CID 157303205) has the molecular formula C54H45N9O3 and a molecular weight of 868.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID157303205
Molecular FormulaC54H45N9O3
Molecular Weight868.01 g/mol
Exact Mass867.36
IUPAC Name8-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
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)cc1.Cc1ccc2ncc3c(=O)n(-c4ccccc4C)[nH]c3c2c1.Cc1cccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)c1
InChIInChI=1S/3C18H15N3O/c1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-8-5-12(2)9-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-7-6-12(2)9-14(16)17(15)20-21;1-11-7-8-15-13(9-11)17-14(10-19-15)18(22)21(20-17)16-6-4-3-5-12(16)2/h3*3-10,20H,1-2H3
InChIKeyXKKUTGQODWWBGG-UHFFFAOYSA-N
XLogP10.45
TPSA152.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.01
LogP ≤ 510.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(3H)Cgs8216
CID 104916
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
2-(4-fluorophenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273072
8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 11778675
2-(2-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 145983744
6-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 1489041
2-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 68154522
2-(4-Fluorophenyl)-8-(piperidine-1-carbonyl)-2H,3H,5H-pyrazolo[4,3-C]quinolin-3-one
CID 46393552
N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 49660825
2-(4-Fluorophenyl)-3-oxo-N-propyl-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53132392
2-(4-Fluorophenyl)-3-oxo-N-(propan-2-YL)-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53132409
N-Cyclopentyl-2-(4-fluorophenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53132412

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)cc1.Cc1ccc2ncc3c(=O)n(-c4ccccc4C)[nH]c3c2c1.Cc1cccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)c1.
What is the InChIKey of 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?
The InChIKey is XKKUTGQODWWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15N3O/c1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-8-5-12(2)9-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-7-6-12(2)9-14(16)17(15)20-21;1-11-7-8-15-13(9-11)17-14(10-19-15)18(22)21(20-17)16-6-4-3-5-12(16)2/h3*3-10,20H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 868.01 g/mol, XLogP of 10.45, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).