2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one

C19H17N3O — CID 10804397

IUPAC2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one
SMILESCCCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21
InChIInChI=1S/C19H17N3O/c1-2-12-21-17-11-7-6-10-15(17)16-13-22(20-18(16)19(21)23)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyDEJKPQRNRINUBY-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.75
Rot. Bonds3

About 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one

2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 10804397) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one
PubChem CID10804397
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one
SMILESCCCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21
InChIInChI=1S/C19H17N3O/c1-2-12-21-17-11-7-6-10-15(17)16-13-22(20-18(16)19(21)23)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyDEJKPQRNRINUBY-UHFFFAOYSA-N
XLogP3.75
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one (CID 10804397) is 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one is CCCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21.
What is the InChIKey of 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is DEJKPQRNRINUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-12-21-17-11-7-6-10-15(17)16-13-22(20-18(16)19(21)23)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one?
2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10804397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).