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

C23H31N3O3 — CID 135439895

IUPAC4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol
SMILESCC(C)O.COc1cccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)c1
InChIInChI=1S/C20H23N3O2.C3H8O/c1-11-16-17(12-6-5-7-13(8-12)25-4)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24;1-3(2)4/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23);3-4H,1-2H3
InChIKeyNLBSAKBAXUMRMR-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.31
Rot. Bonds2

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

4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol (PubChem CID 135439895) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol
PubChem CID135439895
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol
SMILESCC(C)O.COc1cccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)c1
InChIInChI=1S/C20H23N3O2.C3H8O/c1-11-16-17(12-6-5-7-13(8-12)25-4)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24;1-3(2)4/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23);3-4H,1-2H3
InChIKeyNLBSAKBAXUMRMR-UHFFFAOYSA-N
XLogP4.31
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol?
The IUPAC name of 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) is 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol is CC(C)O.COc1cccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol?
The InChIKey is NLBSAKBAXUMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.C3H8O/c1-11-16-17(12-6-5-7-13(8-12)25-4)18-14(21-19(16)23-22-11)9-20(2,3)10-15(18)24;1-3(2)4/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23);3-4H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol?
4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol has a molecular weight of 397.52 g/mol, XLogP of 4.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one;propan-2-ol is sourced from PubChem (CID 135439895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).