(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C21H19NO2 — CID 872442

IUPAC(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1
InChIInChI=1S/C21H19NO2/c23-19-12-16(14-7-3-1-4-8-14)11-18-21(19)17(13-20(24)22-18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,22,24)/t16-,17+/m0/s1
InChIKeyVZJKCTRPMRVUEA-DLBZAZTESA-N
MW317.39 g/mol
LogP3.69
Rot. Bonds2

About (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 872442) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID872442
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1
InChIInChI=1S/C21H19NO2/c23-19-12-16(14-7-3-1-4-8-14)11-18-21(19)17(13-20(24)22-18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,22,24)/t16-,17+/m0/s1
InChIKeyVZJKCTRPMRVUEA-DLBZAZTESA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,7S)-7-(4-fluorophenyl)-4-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645073
4-(4-nitrophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063422
7-(4-methylphenyl)-4-(4-phenylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064851
(4R,7R)-4-phenyl-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413986
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444195
(4R,7R)-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444362
4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061732
4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064459
(4R,7R)-4-(4-ethylphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413264
(4R,7R)-7-phenyl-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444228
4-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063815
7-(4-tert-butylphenyl)-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17065185

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 872442) is (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1.
What is the InChIKey of (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is VZJKCTRPMRVUEA-DLBZAZTESA-N. The full InChI is InChI=1S/C21H19NO2/c23-19-12-16(14-7-3-1-4-8-14)11-18-21(19)17(13-20(24)22-18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 872442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).