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

C17H16N4O — CID 127243784

IUPAC4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
SMILESCc1nn(-c2ccccc2)c2nc3c(c(N)c12)C(=O)CCC3
InChIInChI=1S/C17H16N4O/c1-10-14-16(18)15-12(8-5-9-13(15)22)19-17(14)21(20-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,18,19)
InChIKeyDKJFVJYTRDNPPE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.83
Rot. Bonds1

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

4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one (PubChem CID 127243784) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
PubChem CID127243784
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
SMILESCc1nn(-c2ccccc2)c2nc3c(c(N)c12)C(=O)CCC3
InChIInChI=1S/C17H16N4O/c1-10-14-16(18)15-12(8-5-9-13(15)22)19-17(14)21(20-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,18,19)
InChIKeyDKJFVJYTRDNPPE-UHFFFAOYSA-N
XLogP2.83
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one (CID 127243784) is 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one is Cc1nn(-c2ccccc2)c2nc3c(c(N)c12)C(=O)CCC3.
What is the InChIKey of 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
The InChIKey is DKJFVJYTRDNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10-14-16(18)15-12(8-5-9-13(15)22)19-17(14)21(20-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,18,19).
What are the key properties of 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one?
4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one has a molecular weight of 292.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 127243784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).