(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C21H17Cl2NO2 — CID 1266571

IUPAC(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1
InChIInChI=1S/C21H17Cl2NO2/c22-16-9-4-8-14(21(16)23)15-12-19(26)24(13-6-2-1-3-7-13)17-10-5-11-18(25)20(15)17/h1-4,6-9,15H,5,10-12H2/t15-/m0/s1
InChIKeyCZTXBYRVSLGXNN-HNNXBMFYSA-N
MW386.28 g/mol
LogP5.52
Rot. Bonds2

About (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 1266571) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID1266571
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1
InChIInChI=1S/C21H17Cl2NO2/c22-16-9-4-8-14(21(16)23)15-12-19(26)24(13-6-2-1-3-7-13)17-10-5-11-18(25)20(15)17/h1-4,6-9,15H,5,10-12H2/t15-/m0/s1
InChIKeyCZTXBYRVSLGXNN-HNNXBMFYSA-N
XLogP5.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 1266571) is (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccccc1.
What is the InChIKey of (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is CZTXBYRVSLGXNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-16-9-4-8-14(21(16)23)15-12-19(26)24(13-6-2-1-3-7-13)17-10-5-11-18(25)20(15)17/h1-4,6-9,15H,5,10-12H2/t15-/m0/s1.
What are the key properties of (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 386.28 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 1266571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).