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

C29H25Cl2NO2 — CID 23887196

IUPAC4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(c2ccccc2)CC3=O)c1C
InChIInChI=1S/C29H25Cl2NO2/c1-17-8-6-13-24(18(17)2)32-25-14-20(19-9-4-3-5-10-19)15-26(33)28(25)22(16-27(32)34)21-11-7-12-23(30)29(21)31/h3-13,20,22H,14-16H2,1-2H3
InChIKeyCBLYXLVQQZTVAG-UHFFFAOYSA-N
MW490.43 g/mol
LogP7.53
Rot. Bonds3

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

4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23887196) has the molecular formula C29H25Cl2NO2 and a molecular weight of 490.43 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23887196
Molecular FormulaC29H25Cl2NO2
Molecular Weight490.43 g/mol
Exact Mass489.13
IUPAC Name4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(c2ccccc2)CC3=O)c1C
InChIInChI=1S/C29H25Cl2NO2/c1-17-8-6-13-24(18(17)2)32-25-14-20(19-9-4-3-5-10-19)15-26(33)28(25)22(16-27(32)34)21-11-7-12-23(30)29(21)31/h3-13,20,22H,14-16H2,1-2H3
InChIKeyCBLYXLVQQZTVAG-UHFFFAOYSA-N
XLogP7.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23887196) is 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CC(c2ccccc2)CC3=O)c1C.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is CBLYXLVQQZTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2NO2/c1-17-8-6-13-24(18(17)2)32-25-14-20(19-9-4-3-5-10-19)15-26(33)28(25)22(16-27(32)34)21-11-7-12-23(30)29(21)31/h3-13,20,22H,14-16H2,1-2H3.
What are the key properties of 4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,3-dichlorophenyl)-1-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 490.43 g/mol, XLogP of 7.53, 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-(2,3-dimethylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23887196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).