1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

C23H25NO5 — CID 23887321

IUPAC1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(C)(C)CC3=O)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-23(2)12-17-22(18(25)13-23)15(19-6-5-9-29-19)11-21(26)24(17)16-8-7-14(27-3)10-20(16)28-4/h5-10,15H,11-13H2,1-4H3
InChIKeyFBVJJJXYEAMKER-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.46
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23887321) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23887321
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(C)(C)CC3=O)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-23(2)12-17-22(18(25)13-23)15(19-6-5-9-29-19)11-21(26)24(17)16-8-7-14(27-3)10-20(16)28-4/h5-10,15H,11-13H2,1-4H3
InChIKeyFBVJJJXYEAMKER-UHFFFAOYSA-N
XLogP4.46
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

1-(2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23744036
(4S)-4-(2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426481
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496622
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581
methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
CID 5322481
4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496619
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23971155
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
(4R)-4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426472

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23887321) is 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(C)(C)CC3=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is FBVJJJXYEAMKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-23(2)12-17-22(18(25)13-23)15(19-6-5-9-29-19)11-21(26)24(17)16-8-7-14(27-3)10-20(16)28-4/h5-10,15H,11-13H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23887321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).