1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C18H15N3O — CID 171346949

IUPAC1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cnn(Cc4ccccc4)c3c2c1
InChIInChI=1S/C18H15N3O/c1-12-7-8-16-14(9-12)17-15(18(22)20-16)10-19-21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIIJUBMJKZFRTAX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.23
Rot. Bonds2

About 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 171346949) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID171346949
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cnn(Cc4ccccc4)c3c2c1
InChIInChI=1S/C18H15N3O/c1-12-7-8-16-14(9-12)17-15(18(22)20-16)10-19-21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIIJUBMJKZFRTAX-UHFFFAOYSA-N
XLogP3.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 24958200
CID 24958200
CID 24958198
CID 24958198
CID 4962866
CID 4962866
CID 10636110
CID 10636110
CID 44549251
CID 44549251
CID 44549372
CID 44549372
CID 77844720
CID 77844720
CID 5273070
CID 5273070
CID 16193945
CID 16193945
CID 3510494
CID 3510494
CID 10588437
CID 10588437
CID 10731097
CID 10731097

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 171346949) is 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1ccc2[nH]c(=O)c3cnn(Cc4ccccc4)c3c2c1.
What is the InChIKey of 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is IIJUBMJKZFRTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-7-8-16-14(9-12)17-15(18(22)20-16)10-19-21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171346949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).