1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C17H12ClN3O — CID 135455516

IUPAC1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H12ClN3O/c1-10-15-16(13-4-2-3-5-14(13)19-17(15)22)21(20-10)12-8-6-11(18)7-9-12/h2-9H,1H3,(H,19,22)
InChIKeyIJIAUNGJHQRZLW-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.83
Rot. Bonds1

About 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 135455516) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID135455516
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C17H12ClN3O/c1-10-15-16(13-4-2-3-5-14(13)19-17(15)22)21(20-10)12-8-6-11(18)7-9-12/h2-9H,1H3,(H,19,22)
InChIKeyIJIAUNGJHQRZLW-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 135455516) is 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1nn(-c2ccc(Cl)cc2)c2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is IJIAUNGJHQRZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-10-15-16(13-4-2-3-5-14(13)19-17(15)22)21(20-10)12-8-6-11(18)7-9-12/h2-9H,1H3,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-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 1-(4-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 135455516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).