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

C23H23NO3 — CID 26458714

IUPAC(4S)-4-(4-hydroxyphenyl)-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(O)cc1
InChIInChI=1S/C23H23NO3/c1-23(2)13-19-22(20(26)14-23)18(15-8-10-17(25)11-9-15)12-21(27)24(19)16-6-4-3-5-7-16/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyJZNXNPIOZCALTL-SFHVURJKSA-N
MW361.44 g/mol
LogP4.56
Rot. Bonds2

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

(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 26458714) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID26458714
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(4S)-4-(4-hydroxyphenyl)-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(O)cc1
InChIInChI=1S/C23H23NO3/c1-23(2)13-19-22(20(26)14-23)18(15-8-10-17(25)11-9-15)12-21(27)24(19)16-6-4-3-5-7-16/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyJZNXNPIOZCALTL-SFHVURJKSA-N
XLogP4.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
3-[7,7-dimethyl-4-(4-methylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23999087
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773223
4-[7,7-dimethyl-2,5-dioxo-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25037018
(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773213
(4R)-1-(4-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1264268
1-(3-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 5215746
(4R)-1-(3-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266984
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 26458714) is (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (4S)-4-(4-hydroxyphenyl)-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(O)cc1.
What is the InChIKey of (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is JZNXNPIOZCALTL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(2)13-19-22(20(26)14-23)18(15-8-10-17(25)11-9-15)12-21(27)24(19)16-6-4-3-5-7-16/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 361.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 26458714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).