3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one

C17H15N3O — CID 2377208

IUPAC3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C17H15N3O/c1-11-13-10-14-15(8-5-9-16(14)21)18-17(13)20(19-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyLVCOFZHJBKEZFR-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one

3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one (PubChem CID 2377208) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
PubChem CID2377208
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
SMILESCc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C17H15N3O/c1-11-13-10-14-15(8-5-9-16(14)21)18-17(13)20(19-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyLVCOFZHJBKEZFR-UHFFFAOYSA-N
XLogP3.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one (CID 2377208) is 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one is Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)CCC3.
What is the InChIKey of 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The InChIKey is LVCOFZHJBKEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-13-10-14-15(8-5-9-16(14)21)18-17(13)20(19-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one has a molecular weight of 277.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 2377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).