1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one

C18H14ClN3O — CID 2785498

IUPAC1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
SMILESCc1nn(-c2cccc(Cl)c2)c2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C18H14ClN3O/c1-11-16-17(22(20-11)13-7-5-6-12(19)10-13)14-8-3-4-9-15(14)21(2)18(16)23/h3-10H,1-2H3
InChIKeyFVPJJYBJEHHYAA-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.84
Rot. Bonds1

About 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one

1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one (PubChem CID 2785498) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
PubChem CID2785498
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
SMILESCc1nn(-c2cccc(Cl)c2)c2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C18H14ClN3O/c1-11-16-17(22(20-11)13-7-5-6-12(19)10-13)14-8-3-4-9-15(14)21(2)18(16)23/h3-10H,1-2H3
InChIKeyFVPJJYBJEHHYAA-UHFFFAOYSA-N
XLogP3.84
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one (CID 2785498) is 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one is Cc1nn(-c2cccc(Cl)c2)c2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one?
The InChIKey is FVPJJYBJEHHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-11-16-17(22(20-11)13-7-5-6-12(19)10-13)14-8-3-4-9-15(14)21(2)18(16)23/h3-10H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one?
1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one has a molecular weight of 323.78 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 2785498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).