4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

C17H25N3O — CID 136980398

IUPAC4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
SMILESCCC1(CC)C2=C(CC(C)(C)CC2=O)Nc2n[nH]c(C)c21
InChIInChI=1S/C17H25N3O/c1-6-17(7-2)13-10(3)19-20-15(13)18-11-8-16(4,5)9-12(21)14(11)17/h6-9H2,1-5H3,(H2,18,19,20)
InChIKeyZKLKMNNNFCZKDV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.84
Rot. Bonds2

About 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one (PubChem CID 136980398) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
PubChem CID136980398
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
SMILESCCC1(CC)C2=C(CC(C)(C)CC2=O)Nc2n[nH]c(C)c21
InChIInChI=1S/C17H25N3O/c1-6-17(7-2)13-10(3)19-20-15(13)18-11-8-16(4,5)9-12(21)14(11)17/h6-9H2,1-5H3,(H2,18,19,20)
InChIKeyZKLKMNNNFCZKDV-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,7,7-tetramethyl-4-[2-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980425
(4R)-3,4,7,7-tetramethyl-4-phenyl-2-[[(4S)-3,4,7-trimethyl-5-oxo-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-7-yl]methyl]-8,9-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 139295769
4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157118494
3-acetyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 164978400
3-cyclopropyl-4-(2-fluorophenyl)-4,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980458
(4R)-3-cyclopropyl-4-[3-(fluoromethyl)phenyl]-4,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136969763
(4S)-4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 1474563
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075
5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
CID 137275889
(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136980453
(3S)-3'-(3,3-difluorocyclobutyl)-6-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydropyrazolo[3,4-b]quinoline]-5'-one
CID 163730779
7,7-dimethyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 144606850

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one (CID 136980398) is 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one is CCC1(CC)C2=C(CC(C)(C)CC2=O)Nc2n[nH]c(C)c21.
What is the InChIKey of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one?
The InChIKey is ZKLKMNNNFCZKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-17(7-2)13-10(3)19-20-15(13)18-11-8-16(4,5)9-12(21)14(11)17/h6-9H2,1-5H3,(H2,18,19,20).
What are the key properties of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one?
4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one has a molecular weight of 287.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 136980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).