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

C24H25NO2 — CID 23802327

IUPAC1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)N(c3c(C)cccc3C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C24H25NO2/c1-15-7-4-10-18(13-15)19-14-22(27)25(20-11-6-12-21(26)23(19)20)24-16(2)8-5-9-17(24)3/h4-5,7-10,13,19H,6,11-12,14H2,1-3H3
InChIKeyFSZRIUACWVRHSJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.14
Rot. Bonds2

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

1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23802327) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23802327
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)N(c3c(C)cccc3C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C24H25NO2/c1-15-7-4-10-18(13-15)19-14-22(27)25(20-11-6-12-21(26)23(19)20)24-16(2)8-5-9-17(24)3/h4-5,7-10,13,19H,6,11-12,14H2,1-3H3
InChIKeyFSZRIUACWVRHSJ-UHFFFAOYSA-N
XLogP5.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773148
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
4-chloro-3-[4-(3-methylphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23831099
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773184
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887269
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23999086
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23915330
1-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943226
4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
CID 162373113
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23802327) is 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(C2CC(=O)N(c3c(C)cccc3C)C3=C2C(=O)CCC3)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is FSZRIUACWVRHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-15-7-4-10-18(13-15)19-14-22(27)25(20-11-6-12-21(26)23(19)20)24-16(2)8-5-9-17(24)3/h4-5,7-10,13,19H,6,11-12,14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 359.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23802327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).