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

C30H29NO5 — CID 23998976

IUPAC4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(c3cccc(OC)c3OC)C3=C2CC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C30H29NO5/c1-34-22-12-7-11-21(17-22)31-25-15-20(19-9-5-4-6-10-19)16-26(32)29(25)24(18-28(31)33)23-13-8-14-27(35-2)30(23)36-3/h4-14,17,20,24H,15-16,18H2,1-3H3
InChIKeyBBTLBDXPIDJNAV-UHFFFAOYSA-N
MW483.56 g/mol
LogP5.63
Rot. Bonds6

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

4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23998976) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23998976
Molecular FormulaC30H29NO5
Molecular Weight483.56 g/mol
Exact Mass483.20
IUPAC Name4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(c3cccc(OC)c3OC)C3=C2CC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C30H29NO5/c1-34-22-12-7-11-21(17-22)31-25-15-20(19-9-5-4-6-10-19)16-26(32)29(25)24(18-28(31)33)23-13-8-14-27(35-2)30(23)36-3/h4-14,17,20,24H,15-16,18H2,1-3H3
InChIKeyBBTLBDXPIDJNAV-UHFFFAOYSA-N
XLogP5.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23998985
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743938
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426478
1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23971155
4-chloro-3-[4-(2-methoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887217
4-(2,4-dichlorophenyl)-1-naphthalen-2-yl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915261
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
(4S,7R)-4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443651
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
3-[4-(4-methylphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23773142

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23998976) is 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cccc(N2C(=O)CC(c3cccc(OC)c3OC)C3=C2CC(c2ccccc2)CC3=O)c1.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is BBTLBDXPIDJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-34-22-12-7-11-21(17-22)31-25-15-20(19-9-5-4-6-10-19)16-26(32)29(25)24(18-28(31)33)23-13-8-14-27(35-2)30(23)36-3/h4-14,17,20,24H,15-16,18H2,1-3H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 483.56 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23998976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).