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

C24H23F2NO2 — CID 1266716

IUPAC(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23F2NO2/c1-14-4-6-15(7-5-14)17-11-22(29)27(19-9-8-16(25)10-18(19)26)20-12-24(2,3)13-21(28)23(17)20/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyVARHKNLJRWRLBV-QGZVFWFLSA-N
MW395.45 g/mol
LogP5.44
Rot. Bonds2

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

(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 1266716) has the molecular formula C24H23F2NO2 and a molecular weight of 395.45 g/mol. Its IUPAC name is (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID1266716
Molecular FormulaC24H23F2NO2
Molecular Weight395.45 g/mol
Exact Mass395.17
IUPAC Name(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23F2NO2/c1-14-4-6-15(7-5-14)17-11-22(29)27(19-9-8-16(25)10-18(19)26)20-12-24(2,3)13-21(28)23(17)20/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyVARHKNLJRWRLBV-QGZVFWFLSA-N
XLogP5.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4S)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266607
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23999086
3-[7,7-dimethyl-4-(4-methylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23999087
(4S)-1-(2-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266634
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 26458714
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802385
4-[4-(diethylamino)phenyl]-1-(3,5-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802345
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
(4R)-1-(4-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1264268
(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1267005
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 1266716) is (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is Cc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is VARHKNLJRWRLBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23F2NO2/c1-14-4-6-15(7-5-14)17-11-22(29)27(19-9-8-16(25)10-18(19)26)20-12-24(2,3)13-21(28)23(17)20/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 395.45 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 1266716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).