4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one

C19H21N3O3 — CID 4652289

IUPAC4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC
InChIInChI=1S/C19H21N3O3/c1-10-16-17(11-7-8-14(24-2)15(9-11)25-3)18-12(5-4-6-13(18)23)20-19(16)22-21-10/h7-9,17H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyDZUOZRNZAZAJFL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.30
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one

4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one (PubChem CID 4652289) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
PubChem CID4652289
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC
InChIInChI=1S/C19H21N3O3/c1-10-16-17(11-7-8-14(24-2)15(9-11)25-3)18-12(5-4-6-13(18)23)20-19(16)22-21-10/h7-9,17H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyDZUOZRNZAZAJFL-UHFFFAOYSA-N
XLogP3.30
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one with MolForge

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Related Compounds

4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 3809720
ppn-gsk-10-R-enantiomer
CID 135984461
4-(4-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2999370
4-(3,4-dimethoxyphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 3164909
Indan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 11002986
(4S)-4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135984464
4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one
CID 136172774
Pyrazolodihydropyridine derivative 1
CID 1478036
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075
4-(3-ethoxy-4-hydroxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 3809723
4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol
CID 135439895
4-(2,3-dimethoxyphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 3164903

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one (CID 4652289) is 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one is COc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The InChIKey is DZUOZRNZAZAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-10-16-17(11-7-8-14(24-2)15(9-11)25-3)18-12(5-4-6-13(18)23)20-19(16)22-21-10/h7-9,17H,4-6H2,1-3H3,(H2,20,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one has a molecular weight of 339.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 4652289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).