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

C21H15Cl2F2NO2 — CID 1266698

IUPAC(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C21H15Cl2F2NO2/c22-11-4-6-13(15(23)8-11)14-10-20(28)26(17-7-5-12(24)9-16(17)25)18-2-1-3-19(27)21(14)18/h4-9,14H,1-3,10H2/t14-/m0/s1
InChIKeyGLRZMSUIKOIDNM-AWEZNQCLSA-N
MW422.26 g/mol
LogP5.80
Rot. Bonds2

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

(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 1266698) has the molecular formula C21H15Cl2F2NO2 and a molecular weight of 422.26 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID1266698
Molecular FormulaC21H15Cl2F2NO2
Molecular Weight422.26 g/mol
Exact Mass421.04
IUPAC Name(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C21H15Cl2F2NO2/c22-11-4-6-13(15(23)8-11)14-10-20(28)26(17-7-5-12(24)9-16(17)25)18-2-1-3-19(27)21(14)18/h4-9,14H,1-3,10H2/t14-/m0/s1
InChIKeyGLRZMSUIKOIDNM-AWEZNQCLSA-N
XLogP5.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.26
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 1266698) is (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1F.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is GLRZMSUIKOIDNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H15Cl2F2NO2/c22-11-4-6-13(15(23)8-11)14-10-20(28)26(17-7-5-12(24)9-16(17)25)18-2-1-3-19(27)21(14)18/h4-9,14H,1-3,10H2/t14-/m0/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 422.26 g/mol, XLogP of 5.80, 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)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 1266698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).