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

C29H27NO3 — CID 23998985

IUPAC4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C29H27NO3/c1-19-8-6-12-23(14-19)30-26-16-22(20-9-4-3-5-10-20)17-27(31)29(26)25(18-28(30)32)21-11-7-13-24(15-21)33-2/h3-15,22,25H,16-18H2,1-2H3
InChIKeyYBVFJHPYCSMGCD-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.92
Rot. Bonds4

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

4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23998985) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23998985
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C29H27NO3/c1-19-8-6-12-23(14-19)30-26-16-22(20-9-4-3-5-10-20)17-27(31)29(26)25(18-28(30)32)21-11-7-13-24(15-21)33-2/h3-15,22,25H,16-18H2,1-2H3
InChIKeyYBVFJHPYCSMGCD-UHFFFAOYSA-N
XLogP5.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887207
4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23998976
(4S)-4-(3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7597566
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743938
3-[4-(4-methylphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23773142
1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23971155
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
4-(2,4-dichlorophenyl)-1-naphthalen-2-yl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915261
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
(4S,7R)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645201
7-(3-methoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949760
1-(2,3-dimethylphenyl)-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915283

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23998985) is 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(c2ccccc2)C3)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is YBVFJHPYCSMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-19-8-6-12-23(14-19)30-26-16-22(20-9-4-3-5-10-20)17-27(31)29(26)25(18-28(30)32)21-11-7-13-24(15-21)33-2/h3-15,22,25H,16-18H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 437.54 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23998985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).