4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C15H13Cl2NO2 — CID 6462186

IUPAC4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2c(Cl)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13Cl2NO2/c16-9-3-1-4-10(17)14(9)8-7-13(20)18-11-5-2-6-12(19)15(8)11/h1,3-4,8H,2,5-7H2,(H,18,20)
InChIKeyYEBRXIYKZFFYBA-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.60
Rot. Bonds1

About 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 6462186) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID6462186
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2c(Cl)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13Cl2NO2/c16-9-3-1-4-10(17)14(9)8-7-13(20)18-11-5-2-6-12(19)15(8)11/h1,3-4,8H,2,5-7H2,(H,18,20)
InChIKeyYEBRXIYKZFFYBA-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 6462186) is 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2c(Cl)cccc2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is YEBRXIYKZFFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-9-3-1-4-10(17)14(9)8-7-13(20)18-11-5-2-6-12(19)15(8)11/h1,3-4,8H,2,5-7H2,(H,18,20).
What are the key properties of 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 310.18 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 6462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).