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

C24H23Cl2NO5 — CID 17062944

IUPAC7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)NC3=C2C(=O)CC(c2ccc(Cl)c(Cl)c2)C3)cc1OC
InChIInChI=1S/C24H23Cl2NO5/c1-30-20-11-22(32-3)21(31-2)9-14(20)15-10-23(29)27-18-7-13(8-19(28)24(15)18)12-4-5-16(25)17(26)6-12/h4-6,9,11,13,15H,7-8,10H2,1-3H3,(H,27,29)
InChIKeySVHURMURKVEVAA-UHFFFAOYSA-N
MW476.36 g/mol
LogP5.02
Rot. Bonds5

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

7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17062944) has the molecular formula C24H23Cl2NO5 and a molecular weight of 476.36 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17062944
Molecular FormulaC24H23Cl2NO5
Molecular Weight476.36 g/mol
Exact Mass475.10
IUPAC Name7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)NC3=C2C(=O)CC(c2ccc(Cl)c(Cl)c2)C3)cc1OC
InChIInChI=1S/C24H23Cl2NO5/c1-30-20-11-22(32-3)21(31-2)9-14(20)15-10-23(29)27-18-7-13(8-19(28)24(15)18)12-4-5-16(25)17(26)6-12/h4-6,9,11,13,15H,7-8,10H2,1-3H3,(H,27,29)
InChIKeySVHURMURKVEVAA-UHFFFAOYSA-N
XLogP5.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

7-(4-tert-butylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063236
(4S,7R)-4-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645206
4-(4-bromo-2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060584
(4S,7S)-4-(4-bromo-2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123599
4-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063815
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413646
4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17122375
(4S,7S)-4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645428
4-(2,4-dimethoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063265
4-(2,4-dimethoxyphenyl)-7-(4-ethoxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064803
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413169
7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17312582

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17062944) is 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1cc(OC)c(C2CC(=O)NC3=C2C(=O)CC(c2ccc(Cl)c(Cl)c2)C3)cc1OC.
What is the InChIKey of 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is SVHURMURKVEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5/c1-30-20-11-22(32-3)21(31-2)9-14(20)15-10-23(29)27-18-7-13(8-19(28)24(15)18)12-4-5-16(25)17(26)6-12/h4-6,9,11,13,15H,7-8,10H2,1-3H3,(H,27,29).
What are the key properties of 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 476.36 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17062944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).