1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione

C26H26ClNO2 — CID 23915325

IUPAC1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(/C=C/c2ccccc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H26ClNO2/c1-17-20(27)10-7-11-21(17)28-22-15-26(2,3)16-23(29)25(22)19(14-24(28)30)13-12-18-8-5-4-6-9-18/h4-13,19H,14-16H2,1-3H3/b13-12+
InChIKeyJTFHTQXYRHWBAA-OUKQBFOZSA-N
MW419.95 g/mol
LogP6.36
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione

1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23915325) has the molecular formula C26H26ClNO2 and a molecular weight of 419.95 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23915325
Molecular FormulaC26H26ClNO2
Molecular Weight419.95 g/mol
Exact Mass419.17
IUPAC Name1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(/C=C/c2ccccc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H26ClNO2/c1-17-20(27)10-7-11-21(17)28-22-15-26(2,3)16-23(29)25(22)19(14-24(28)30)13-12-18-8-5-4-6-9-18/h4-13,19H,14-16H2,1-3H3/b13-12+
InChIKeyJTFHTQXYRHWBAA-OUKQBFOZSA-N
XLogP6.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide
CID 23744015
methyl 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzoate
CID 23832841
7,7-dimethyl-1-(4-phenoxyphenyl)-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23859497
1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859440
1-(2,5-dichlorophenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999001
1-(2,4-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743959
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
(3E)-1-(3-chloro-2-methylphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-2-imino-4-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 135670900
(3E)-1-(3-chloro-2-methylphenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-imino-4-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 135698100
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802385
(4S)-1-(2-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266634

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23915325) is 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione is Cc1c(Cl)cccc1N1C(=O)CC(/C=C/c2ccccc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is JTFHTQXYRHWBAA-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H26ClNO2/c1-17-20(27)10-7-11-21(17)28-22-15-26(2,3)16-23(29)25(22)19(14-24(28)30)13-12-18-8-5-4-6-9-18/h4-13,19H,14-16H2,1-3H3/b13-12+.
What are the key properties of 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 419.95 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).