3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

C12H11N3O — CID 2785814

IUPAC3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C12H11N3O/c1-7-10-11(14-13-7)8-5-3-4-6-9(8)15(2)12(10)16/h3-6H,1-2H3,(H,13,14)
InChIKeyJYNKKTHUZTYHCU-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 2785814) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID2785814
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C12H11N3O/c1-7-10-11(14-13-7)8-5-3-4-6-9(8)15(2)12(10)16/h3-6H,1-2H3,(H,13,14)
InChIKeyJYNKKTHUZTYHCU-UHFFFAOYSA-N
XLogP1.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 2785814) is 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is JYNKKTHUZTYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-10-11(14-13-7)8-5-3-4-6-9(8)15(2)12(10)16/h3-6H,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 2785814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).