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

C26H29NO2 — CID 23999086

IUPAC1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)N(c3cc(C)ccc3C)C3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C26H29NO2/c1-16-7-6-8-19(11-16)20-13-24(29)27(21-12-17(2)9-10-18(21)3)22-14-26(4,5)15-23(28)25(20)22/h6-12,20H,13-15H2,1-5H3
InChIKeyFUZZCRRFDPPESH-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.78
Rot. Bonds2

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

1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23999086) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23999086
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)N(c3cc(C)ccc3C)C3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C26H29NO2/c1-16-7-6-8-19(11-16)20-13-24(29)27(21-12-17(2)9-10-18(21)3)22-14-26(4,5)15-23(28)25(20)22/h6-12,20H,13-15H2,1-5H3
InChIKeyFUZZCRRFDPPESH-UHFFFAOYSA-N
XLogP5.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802385
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23915330
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581
(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1267005
7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4540355
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266716
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
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-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
3-[7,7-dimethyl-4-(4-methylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23999087
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802327
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23999086) is 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is Cc1cccc(C2CC(=O)N(c3cc(C)ccc3C)C3=C2C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is FUZZCRRFDPPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-16-7-6-8-19(11-16)20-13-24(29)27(21-12-17(2)9-10-18(21)3)22-14-26(4,5)15-23(28)25(20)22/h6-12,20H,13-15H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 387.52 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23999086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).