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

C26H29NO2 — CID 23943226

IUPAC1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(c3ccc(C(C)C)cc3)C3=C2CCCC3=O)c1
InChIInChI=1S/C26H29NO2/c1-16(2)19-10-12-20(13-11-19)21-15-25(29)27(22-6-5-7-24(28)26(21)22)23-14-17(3)8-9-18(23)4/h8-14,16,21H,5-7,15H2,1-4H3
InChIKeyINGIUSKHVQXZMI-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.95
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23943226) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23943226
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(c3ccc(C(C)C)cc3)C3=C2CCCC3=O)c1
InChIInChI=1S/C26H29NO2/c1-16(2)19-10-12-20(13-11-19)21-15-25(29)27(22-6-5-7-24(28)26(21)22)23-14-17(3)8-9-18(23)4/h8-14,16,21H,5-7,15H2,1-4H3
InChIKeyINGIUSKHVQXZMI-UHFFFAOYSA-N
XLogP5.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 4043316
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
1-(2,5-Dimethylphenyl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 2865614
1,4-Diphenyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
CID 657502
1-(4-Fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3517975
2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155516295
4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155519653
2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155526048
2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155534079
4-ethyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155536193
4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155539179
2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155540222

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23943226) is 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1ccc(C)c(N2C(=O)CC(c3ccc(C(C)C)cc3)C3=C2CCCC3=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is INGIUSKHVQXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-16(2)19-10-12-20(13-11-19)21-15-25(29)27(22-6-5-7-24(28)26(21)22)23-14-17(3)8-9-18(23)4/h8-14,16,21H,5-7,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 387.52 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23943226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).