8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H12ClN3O — CID 134508184

IUPAC8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1
InChIInChI=1S/C17H12ClN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-7-4-11(18)8-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyPEEUFDMDDGZEOK-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.83
Rot. Bonds1

About 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508184) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508184
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1
InChIInChI=1S/C17H12ClN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-7-4-11(18)8-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyPEEUFDMDDGZEOK-UHFFFAOYSA-N
XLogP3.83
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3H)Cgs8216
CID 104916
8-Chloro-2-(4-methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10471587
2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 128064
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
2-(4-fluorophenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273072
2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10107991
8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 11778675
2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 13093669
8-chloro-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13938546
4-(4-Chlorophenyl)-14-methyl-3,4,8,13,14-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,8,10,12,15-hexaen-5-one
CID 14809221

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508184) is 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1.
What is the InChIKey of 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is PEEUFDMDDGZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-7-4-11(18)8-13(15)16(14)20-21/h2-9,20H,1H3.
What are the key properties of 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 309.76 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).