(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione

C24H23N3O2 — CID 90798525

IUPAC(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
SMILESCCc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C24H23N3O2/c1-2-15-11-13-16(14-12-15)20-21-18(9-6-10-19(21)28)25-23-22(20)24(29)27(26-23)17-7-4-3-5-8-17/h3-5,7-8,11-14,20-21,26H,2,6,9-10H2,1H3/t20-,21?/m0/s1
InChIKeyYDGWWHHVZUHUKO-BGERDNNASA-N
MW385.47 g/mol
LogP4.32
Rot. Bonds3

About (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione

(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione (PubChem CID 90798525) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
PubChem CID90798525
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
SMILESCCc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C24H23N3O2/c1-2-15-11-13-16(14-12-15)20-21-18(9-6-10-19(21)28)25-23-22(20)24(29)27(26-23)17-7-4-3-5-8-17/h3-5,7-8,11-14,20-21,26H,2,6,9-10H2,1H3/t20-,21?/m0/s1
InChIKeyYDGWWHHVZUHUKO-BGERDNNASA-N
XLogP4.32
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione with MolForge

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Related Compounds

4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2-phenyl-4,4a,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 91897951
(4R)-4-(2-fluorophenyl)-7,7-dimethyl-2-phenyl-4,4a,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 6984294
(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7307776
5-(4-methylphenyl)-2-sulfanylidene-1,5,5a,7,8,9-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 91896207
2-phenylethyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 6967741
ethyl (4R,4aR)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7318493
(4S,4aR)-4-(4-chlorophenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 2208426
12-(4-ethoxyphenyl)-9,10,11a,12-tetrahydro-8H-benzo[b][4,7]phenanthrolin-11-one
CID 91898027
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7335044
(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7360230
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The IUPAC name of (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione (CID 90798525) is (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione.
What is the SMILES notation for (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The canonical SMILES for (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione is CCc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)N=C3CCCC(=O)C32)cc1.
What is the InChIKey of (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
The InChIKey is YDGWWHHVZUHUKO-BGERDNNASA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-15-11-13-16(14-12-15)20-21-18(9-6-10-19(21)28)25-23-22(20)24(29)27(26-23)17-7-4-3-5-8-17/h3-5,7-8,11-14,20-21,26H,2,6,9-10H2,1H3/t20-,21?/m0/s1.
What are the key properties of (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione?
(4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione has a molecular weight of 385.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethylphenyl)-2-phenyl-1,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinoline-3,5-dione is sourced from PubChem (CID 90798525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).