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

C30H29NO2 — CID 23915283

IUPAC1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(c2cccc(C)c2C)C2=C1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C30H29NO2/c1-19-11-9-15-26(21(19)3)31-27-16-23(22-12-5-4-6-13-22)17-28(32)30(27)25(18-29(31)33)24-14-8-7-10-20(24)2/h4-15,23,25H,16-18H2,1-3H3
InChIKeyWYWTUZKHIPLTMT-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.53
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23915283) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23915283
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(c2cccc(C)c2C)C2=C1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C30H29NO2/c1-19-11-9-15-26(21(19)3)31-27-16-23(22-12-5-4-6-13-22)17-28(32)30(27)25(18-29(31)33)24-14-8-7-10-20(24)2/h4-15,23,25H,16-18H2,1-3H3
InChIKeyWYWTUZKHIPLTMT-UHFFFAOYSA-N
XLogP6.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23915283) is 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1ccccc1C1CC(=O)N(c2cccc(C)c2C)C2=C1C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is WYWTUZKHIPLTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-19-11-9-15-26(21(19)3)31-27-16-23(22-12-5-4-6-13-22)17-28(32)30(27)25(18-29(31)33)24-14-8-7-10-20(24)2/h4-15,23,25H,16-18H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 435.57 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23915283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).