4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C15H13Cl2NO2 — CID 2997148

IUPAC4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13Cl2NO2/c16-10-5-4-8(6-11(10)17)9-7-14(20)18-12-2-1-3-13(19)15(9)12/h4-6,9H,1-3,7H2,(H,18,20)
InChIKeyOIFMTEDSWBQDSJ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.60
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 2997148) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID2997148
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13Cl2NO2/c16-10-5-4-8(6-11(10)17)9-7-14(20)18-12-2-1-3-13(19)15(9)12/h4-6,9H,1-3,7H2,(H,18,20)
InChIKeyOIFMTEDSWBQDSJ-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-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

5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3760084
8-chloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 10466539
9-(3-Chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23223067
9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 623286
3-[(3,4-Dichlorophenyl)methyl]piperidine-2,6-dione
CID 14531160
4-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312601
4-(3,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312602
4-(3,4-dichlorophenyl)-N-ethyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 177647661
9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2731354
9-(4-Chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 1088739
4-(3,4-Dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2818318
4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2855023

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 2997148) is 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is OIFMTEDSWBQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-10-5-4-8(6-11(10)17)9-7-14(20)18-12-2-1-3-13(19)15(9)12/h4-6,9H,1-3,7H2,(H,18,20).
What are the key properties of 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 310.18 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 2997148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).