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

C20H21N3O2 — CID 75648635

IUPAC4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccccc1-c1c2c(nc3n[nH]c(C)c13)CC(C)(C)CC2=O
InChIInChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyVDLDHQANIGAJCG-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.10
Rot. Bonds2

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

4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one (PubChem CID 75648635) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one
PubChem CID75648635
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one
SMILESCOc1ccccc1-c1c2c(nc3n[nH]c(C)c13)CC(C)(C)CC2=O
InChIInChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyVDLDHQANIGAJCG-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one (CID 75648635) is 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one is COc1ccccc1-c1c2c(nc3n[nH]c(C)c13)CC(C)(C)CC2=O.
What is the InChIKey of 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one?
The InChIKey is VDLDHQANIGAJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one?
4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one has a molecular weight of 335.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3,7,7-trimethyl-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 75648635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).