2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

C17H13N3O2 — CID 10661229

IUPAC2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
InChIKeyGCANLAFNZTWZHK-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (PubChem CID 10661229) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
PubChem CID10661229
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
InChIKeyGCANLAFNZTWZHK-UHFFFAOYSA-N
XLogP2.88
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10117541
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648151
6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648155
1-(4-methoxyphenyl)-6-(1-{2-[(N-methylacetamido)methyl]phenyl}piperidin-4-yl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318550
2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10434349
2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 13713251
6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 44581199
6-(4-(1-acetylcyclopropyl)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 44581286
2-(1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-6(7H)-yl)phenyl)cyclopropyl)acetamide
CID 44581326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (CID 10661229) is 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is COc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is GCANLAFNZTWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21).
What are the key properties of 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 291.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10661229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).