1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C26H29NO5 — CID 6496698

IUPAC1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(c2cc(OC)c(OC)cc2OC)C2=C1CCCC2=O
InChIInChI=1S/C26H29NO5/c1-5-16-9-6-7-10-19(16)27-20-11-8-12-21(28)26(20)18(14-25(27)29)17-13-23(31-3)24(32-4)15-22(17)30-2/h6-7,9-10,13,15,18H,5,8,11-12,14H2,1-4H3
InChIKeyXYCMJLKGRIUPIC-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.80
Rot. Bonds6

About 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 6496698) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID6496698
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(c2cc(OC)c(OC)cc2OC)C2=C1CCCC2=O
InChIInChI=1S/C26H29NO5/c1-5-16-9-6-7-10-19(16)27-20-11-8-12-21(28)26(20)18(14-25(27)29)17-13-23(31-3)24(32-4)15-22(17)30-2/h6-7,9-10,13,15,18H,5,8,11-12,14H2,1-4H3
InChIKeyXYCMJLKGRIUPIC-UHFFFAOYSA-N
XLogP4.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859463
1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496733
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887260
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496703
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999014
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 6496698) is 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is CCc1ccccc1N1C(=O)CC(c2cc(OC)c(OC)cc2OC)C2=C1CCCC2=O.
What is the InChIKey of 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is XYCMJLKGRIUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-5-16-9-6-7-10-19(16)27-20-11-8-12-21(28)26(20)18(14-25(27)29)17-13-23(31-3)24(32-4)15-22(17)30-2/h6-7,9-10,13,15,18H,5,8,11-12,14H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 435.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 6496698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).