4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one

C20H23N3O2 — CID 2999370

IUPAC4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1
InChIInChI=1S/C20H23N3O2/c1-11-16-17(12-5-7-13(25-4)8-6-12)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyWEUWOYRGEJPEHL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one

4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one (PubChem CID 2999370) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
PubChem CID2999370
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1
InChIInChI=1S/C20H23N3O2/c1-11-16-17(12-5-7-13(25-4)8-6-12)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyWEUWOYRGEJPEHL-UHFFFAOYSA-N
XLogP3.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[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-(3,4-dimethoxyphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 3164909
4-(3,4-Dimethoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 4652289
(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
9-(4-Methoxyphenyl)-2-methyl-3-phenyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-ol
CID 4971206
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
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 164609483

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one (CID 2999370) is 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one is COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The InChIKey is WEUWOYRGEJPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-11-16-17(12-5-7-13(25-4)8-6-12)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23).
What are the key properties of 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one?
4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one has a molecular weight of 337.42 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 2999370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).