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

C21H16Cl3NO2 — CID 23859455

IUPAC1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1c(Cl)cccc1Cl)CC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl3NO2/c22-12-7-9-13(10-8-12)25-17-5-2-6-18(26)21(17)14(11-19(25)27)20-15(23)3-1-4-16(20)24/h1,3-4,7-10,14H,2,5-6,11H2
InChIKeyYZOBJZBVRCTVQV-UHFFFAOYSA-N
MW420.72 g/mol
LogP6.17
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23859455) has the molecular formula C21H16Cl3NO2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23859455
Molecular FormulaC21H16Cl3NO2
Molecular Weight420.72 g/mol
Exact Mass419.02
IUPAC Name1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1c(Cl)cccc1Cl)CC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl3NO2/c22-12-7-9-13(10-8-12)25-17-5-2-6-18(26)21(17)14(11-19(25)27)20-15(23)3-1-4-16(20)24/h1,3-4,7-10,14H,2,5-6,11H2
InChIKeyYZOBJZBVRCTVQV-UHFFFAOYSA-N
XLogP6.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-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-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
(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-chloro-5-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887246
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999014
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
2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5295375
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773148
4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943221
(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266698

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23859455) is 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)CC(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is YZOBJZBVRCTVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3NO2/c22-12-7-9-13(10-8-12)25-17-5-2-6-18(26)21(17)14(11-19(25)27)20-15(23)3-1-4-16(20)24/h1,3-4,7-10,14H,2,5-6,11H2.
What are the key properties of 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 420.72 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23859455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).