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

C23H16ClN3O — CID 2785503

IUPAC1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2c2ccccc21
InChIInChI=1S/C23H16ClN3O/c1-26-19-13-6-5-12-18(19)22-20(23(26)28)21(15-8-3-2-4-9-15)25-27(22)17-11-7-10-16(24)14-17/h2-14H,1H3
InChIKeyPBXKWUVUJDKMFY-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.20
Rot. Bonds2

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

1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one (PubChem CID 2785503) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
PubChem CID2785503
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2c2ccccc21
InChIInChI=1S/C23H16ClN3O/c1-26-19-13-6-5-12-18(19)22-20(23(26)28)21(15-8-3-2-4-9-15)25-27(22)17-11-7-10-16(24)14-17/h2-14H,1H3
InChIKeyPBXKWUVUJDKMFY-UHFFFAOYSA-N
XLogP5.20
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one (CID 2785503) is 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one is Cn1c(=O)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one?
The InChIKey is PBXKWUVUJDKMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c1-26-19-13-6-5-12-18(19)22-20(23(26)28)21(15-8-3-2-4-9-15)25-27(22)17-11-7-10-16(24)14-17/h2-14H,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one?
1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one has a molecular weight of 385.85 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 2785503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).