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

C21H16Cl2FNO2 — CID 4310327

IUPAC4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H16Cl2FNO2/c22-12-4-9-15(17(23)10-12)16-11-20(27)25(14-7-5-13(24)6-8-14)18-2-1-3-19(26)21(16)18/h4-10,16H,1-3,11H2
InChIKeyGOJKMMYTCOGCOO-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.66
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 4310327) has the molecular formula C21H16Cl2FNO2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID4310327
Molecular FormulaC21H16Cl2FNO2
Molecular Weight404.27 g/mol
Exact Mass403.05
IUPAC Name4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H16Cl2FNO2/c22-12-4-9-15(17(23)10-12)16-11-20(27)25(14-7-5-13(24)6-8-14)18-2-1-3-19(26)21(16)18/h4-10,16H,1-3,11H2
InChIKeyGOJKMMYTCOGCOO-UHFFFAOYSA-N
XLogP5.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-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

(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266698
N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887252
3-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23802301
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859455
4-chloro-3-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887251
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
2-[(4S)-4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 42590751
(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1267162
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
2-chloro-5-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887246
4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943221

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 4310327) is 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is GOJKMMYTCOGCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FNO2/c22-12-4-9-15(17(23)10-12)16-11-20(27)25(14-7-5-13(24)6-8-14)18-2-1-3-19(26)21(16)18/h4-10,16H,1-3,11H2.
What are the key properties of 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 404.27 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 4310327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).