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

C28H25NO2 — CID 17064851

IUPAC7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO2/c1-18-7-9-21(10-8-18)23-15-25-28(26(30)16-23)24(17-27(31)29-25)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-14,23-24H,15-17H2,1H3,(H,29,31)
InChIKeyJZOBLBTZTYODTI-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.67
Rot. Bonds3

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

7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17064851) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17064851
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO2/c1-18-7-9-21(10-8-18)23-15-25-28(26(30)16-23)24(17-27(31)29-25)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-14,23-24H,15-17H2,1H3,(H,29,31)
InChIKeyJZOBLBTZTYODTI-UHFFFAOYSA-N
XLogP5.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 872442
(4R,7S)-7-(4-fluorophenyl)-4-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645073
7-(4-methylphenyl)-4-(4-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063732
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413646
4-(4-nitrophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063422
(4S,7S)-7-(4-methylphenyl)-4-(2-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 27136335
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444195
4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6499218
4-(2,4-dichlorophenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061326
(4R,7R)-4-(4-ethylphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413264
7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17285700
(4S,7R)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645201

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17064851) is 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is Cc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is JZOBLBTZTYODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-18-7-9-21(10-8-18)23-15-25-28(26(30)16-23)24(17-27(31)29-25)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-14,23-24H,15-17H2,1H3,(H,29,31).
What are the key properties of 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 407.51 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17064851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).