4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C23H22ClNO3 — CID 23915295

IUPAC4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C23H22ClNO3/c1-2-28-18-11-9-17(10-12-18)25-20-7-4-8-21(26)23(20)19(14-22(25)27)15-5-3-6-16(24)13-15/h3,5-6,9-13,19H,2,4,7-8,14H2,1H3
InChIKeyRNOFAAJQXJXEFS-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.27
Rot. Bonds4

About 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23915295) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23915295
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C23H22ClNO3/c1-2-28-18-11-9-17(10-12-18)25-20-7-4-8-21(26)23(20)19(14-22(25)27)15-5-3-6-16(24)13-15/h3,5-6,9-13,19H,2,4,7-8,14H2,1H3
InChIKeyRNOFAAJQXJXEFS-UHFFFAOYSA-N
XLogP5.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859455
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999030
(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1267162
3-[2,5-dioxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23859492
(3-chlorophenyl)methyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7448625
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802327
(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 6977938
N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887252

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23915295) is 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is CCOc1ccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is RNOFAAJQXJXEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-2-28-18-11-9-17(10-12-18)25-20-7-4-8-21(26)23(20)19(14-22(25)27)15-5-3-6-16(24)13-15/h3,5-6,9-13,19H,2,4,7-8,14H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 395.89 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23915295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).