5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione

C17H13N3O2 — CID 10851116

IUPAC5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESCn1c(=O)c2c(=O)n(-c3ccccc3)[nH]c2c2ccccc21
InChIInChI=1S/C17H13N3O2/c1-19-13-10-6-5-9-12(13)15-14(16(19)21)17(22)20(18-15)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyOQYPXJHWJZVHCC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.17
Rot. Bonds1

About 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione

5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione (PubChem CID 10851116) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione.

Molecular Properties

Compound Name5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
PubChem CID10851116
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESCn1c(=O)c2c(=O)n(-c3ccccc3)[nH]c2c2ccccc21
InChIInChI=1S/C17H13N3O2/c1-19-13-10-6-5-9-12(13)15-14(16(19)21)17(22)20(18-15)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyOQYPXJHWJZVHCC-UHFFFAOYSA-N
XLogP2.17
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
CID 10242373
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
CID 100921559
5-methyl-7H-indolo[2,3-c]quinolin-6-one
CID 21445425
6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 46397836
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
3,5-dimethyl-3H-furo[3,2-c]quinoline-2,4-dione
CID 13329306
4-[4-(4-nitrosophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl]benzaldehyde
CID 89093252
5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
CID 2785867
4-hydroxy-6-methyl-2,5-dioxo-3H-benzo[c][2,7]naphthyridine-1-carbonitrile
CID 136666263
4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The IUPAC name of 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione (CID 10851116) is 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione.
What is the SMILES notation for 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The canonical SMILES for 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione is Cn1c(=O)c2c(=O)n(-c3ccccc3)[nH]c2c2ccccc21.
What is the InChIKey of 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The InChIKey is OQYPXJHWJZVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-19-13-10-6-5-9-12(13)15-14(16(19)21)17(22)20(18-15)11-7-3-2-4-8-11/h2-10,18H,1H3.
What are the key properties of 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione has a molecular weight of 291.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione is sourced from PubChem (CID 10851116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).