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

C23H21Cl2NO2 — CID 1266585

IUPAC(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO2/c1-23(2)12-19-22(20(27)13-23)17(16-9-8-14(24)10-18(16)25)11-21(28)26(19)15-6-4-3-5-7-15/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyIHAQGWVTJJYCMI-KRWDZBQOSA-N
MW414.33 g/mol
LogP6.16
Rot. Bonds2

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

(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 1266585) has the molecular formula C23H21Cl2NO2 and a molecular weight of 414.33 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID1266585
Molecular FormulaC23H21Cl2NO2
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO2/c1-23(2)12-19-22(20(27)13-23)17(16-9-8-14(24)10-18(16)25)11-21(28)26(19)15-6-4-3-5-7-15/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyIHAQGWVTJJYCMI-KRWDZBQOSA-N
XLogP6.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25044981
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 26458714
N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide
CID 23999053
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23915330
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
(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
2-chloro-5-[4-(2-ethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23802361

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 1266585) is (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is IHAQGWVTJJYCMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21Cl2NO2/c1-23(2)12-19-22(20(27)13-23)17(16-9-8-14(24)10-18(16)25)11-21(28)26(19)15-6-4-3-5-7-15/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 414.33 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 1266585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).