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

C25H26FNO4 — CID 6496604

IUPAC4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)16(15-8-7-11-21(30-3)24(15)31-4)12-22(29)27(19)18-10-6-5-9-17(18)26/h5-11,16H,12-14H2,1-4H3
InChIKeyXDSPHNNPKCQHOI-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.01
Rot. Bonds4

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

4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 6496604) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID6496604
Molecular FormulaC25H26FNO4
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)16(15-8-7-11-21(30-3)24(15)31-4)12-22(29)27(19)18-10-6-5-9-17(18)26/h5-11,16H,12-14H2,1-4H3
InChIKeyXDSPHNNPKCQHOI-UHFFFAOYSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R)-4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426472
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426478
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23831120
(4S)-1-(2-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266634
1-(2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23744036
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997035
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581
(4S)-4-(2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426481
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802385
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 6496604) is 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1cccc(C2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is XDSPHNNPKCQHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)16(15-8-7-11-21(30-3)24(15)31-4)12-22(29)27(19)18-10-6-5-9-17(18)26/h5-11,16H,12-14H2,1-4H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 423.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 6496604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).