4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

C25H26ClNO2 — CID 23915330

IUPAC4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(c2cccc(Cl)c2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C25H26ClNO2/c1-15-7-5-8-16(2)24(15)27-20-13-25(3,4)14-21(28)23(20)19(12-22(27)29)17-9-6-10-18(26)11-17/h5-11,19H,12-14H2,1-4H3
InChIKeyRPEOXYGACOXRFX-UHFFFAOYSA-N
MW407.94 g/mol
LogP6.12
Rot. Bonds2

About 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23915330) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23915330
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(c2cccc(Cl)c2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C25H26ClNO2/c1-15-7-5-8-16(2)24(15)27-20-13-25(3,4)14-21(28)23(20)19(12-22(27)29)17-9-6-10-18(26)11-17/h5-11,19H,12-14H2,1-4H3
InChIKeyRPEOXYGACOXRFX-UHFFFAOYSA-N
XLogP6.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23999086
2-[4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5294788
2-[(4R)-4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 42578927
2-[(4S)-4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 42578926
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4540355
(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1267005
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802327
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 5294736

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23915330) is 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is Cc1cccc(C)c1N1C(=O)CC(c2cccc(Cl)c2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is RPEOXYGACOXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO2/c1-15-7-5-8-16(2)24(15)27-20-13-25(3,4)14-21(28)23(20)19(12-22(27)29)17-9-6-10-18(26)11-17/h5-11,19H,12-14H2,1-4H3.
What are the key properties of 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 407.94 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23915330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).