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

C15H13ClFNO2 — CID 5295306

IUPAC4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13ClFNO2/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)
InChIKeyCCMSBOIZMDXVON-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.09
Rot. Bonds1

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

4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 5295306) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID5295306
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H13ClFNO2/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)
InChIKeyCCMSBOIZMDXVON-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 5295306) is 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is CCMSBOIZMDXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/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-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 293.72 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 5295306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).