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

C25H26FNO4 — CID 7426478

IUPAC(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)18(17-9-6-10-21(30-3)24(17)31-4)12-22(29)27(19)16-8-5-7-15(26)11-16/h5-11,18H,12-14H2,1-4H3/t18-/m1/s1
InChIKeyQYECAEXOGZYHOL-GOSISDBHSA-N
MW423.48 g/mol
LogP5.01
Rot. Bonds4

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

(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 7426478) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID7426478
Molecular FormulaC25H26FNO4
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)18(17-9-6-10-21(30-3)24(17)31-4)12-22(29)27(19)16-8-5-7-15(26)11-16/h5-11,18H,12-14H2,1-4H3/t18-/m1/s1
InChIKeyQYECAEXOGZYHOL-GOSISDBHSA-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 (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4S)-4-(2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426481
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23831120
4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496604
(4R)-4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426472
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496619
(4R)-1-(3-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266984
1-(3-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 5215746
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23998976
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 7426478) is (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1cccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC.
What is the InChIKey of (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is QYECAEXOGZYHOL-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26FNO4/c1-25(2)13-19-23(20(28)14-25)18(17-9-6-10-21(30-3)24(17)31-4)12-22(29)27(19)16-8-5-7-15(26)11-16/h5-11,18H,12-14H2,1-4H3/t18-/m1/s1.
What are the key properties of (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-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 (4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 7426478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).