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

C27H20Cl2FNO2 — CID 23998972

IUPAC4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CC(c2ccccc2)CC2=C1C(c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1F
InChIInChI=1S/C27H20Cl2FNO2/c28-20-10-6-9-18(27(20)29)19-15-25(33)31(22-12-5-4-11-21(22)30)23-13-17(14-24(32)26(19)23)16-7-2-1-3-8-16/h1-12,17,19H,13-15H2
InChIKeyQDJKULANEVOZHJ-UHFFFAOYSA-N
MW480.37 g/mol
LogP7.05
Rot. Bonds3

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

4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23998972) has the molecular formula C27H20Cl2FNO2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23998972
Molecular FormulaC27H20Cl2FNO2
Molecular Weight480.37 g/mol
Exact Mass479.09
IUPAC Name4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CC(c2ccccc2)CC2=C1C(c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1F
InChIInChI=1S/C27H20Cl2FNO2/c28-20-10-6-9-18(27(20)29)19-15-25(33)31(22-12-5-4-11-21(22)30)23-13-17(14-24(32)26(19)23)16-7-2-1-3-8-16/h1-12,17,19H,13-15H2
InChIKeyQDJKULANEVOZHJ-UHFFFAOYSA-N
XLogP7.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887196
4-[4-(2,3-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25042120
1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915283
4-(2,6-dichlorophenyl)-1-naphthalen-1-yl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802267
4-(2,4-dichlorophenyl)-1-naphthalen-2-yl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915261
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
4-chloro-3-[4-(2-methoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887217
4-[4-(2,6-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25045338
4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23998976
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887207

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23998972) is 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CC(c2ccccc2)CC2=C1C(c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1F.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is QDJKULANEVOZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2FNO2/c28-20-10-6-9-18(27(20)29)19-15-25(33)31(22-12-5-4-11-21(22)30)23-13-17(14-24(32)26(19)23)16-7-2-1-3-8-16/h1-12,17,19H,13-15H2.
What are the key properties of 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 480.37 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-1-(2-fluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).