5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one

C18H15N3O — CID 12016985

IUPAC5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
SMILESCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O
InChIInChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/h2-10,12H,11H2,1H3
InChIKeyWEDAYNHQXDYPAC-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.89
Rot. Bonds2

About 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one

5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 12016985) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
PubChem CID12016985
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
SMILESCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O
InChIInChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/h2-10,12H,11H2,1H3
InChIKeyWEDAYNHQXDYPAC-UHFFFAOYSA-N
XLogP2.89
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one (CID 12016985) is 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one is Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O.
What is the InChIKey of 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is WEDAYNHQXDYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/h2-10,12H,11H2,1H3.
What are the key properties of 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one?
5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 289.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 12016985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).