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

C21H17ClFNO2 — CID 17060707

IUPAC7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2F)C2=C(CC(c3ccccc3Cl)CC2=O)N1
InChIInChI=1S/C21H17ClFNO2/c22-16-7-3-1-5-13(16)12-9-18-21(19(25)10-12)15(11-20(26)24-18)14-6-2-4-8-17(14)23/h1-8,12,15H,9-11H2,(H,24,26)
InChIKeyDBWRHXJXPLJKCI-UHFFFAOYSA-N
MW369.82 g/mol
LogP4.48
Rot. Bonds2

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

7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17060707) has the molecular formula C21H17ClFNO2 and a molecular weight of 369.82 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17060707
Molecular FormulaC21H17ClFNO2
Molecular Weight369.82 g/mol
Exact Mass369.09
IUPAC Name7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2F)C2=C(CC(c3ccccc3Cl)CC2=O)N1
InChIInChI=1S/C21H17ClFNO2/c22-16-7-3-1-5-13(16)12-9-18-21(19(25)10-12)15(11-20(26)24-18)14-6-2-4-8-17(14)23/h1-8,12,15H,9-11H2,(H,24,26)
InChIKeyDBWRHXJXPLJKCI-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4S,7R)-7-(2-chlorophenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645102
(4S,7S)-7-(2-chlorophenyl)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645080
(4S,7S)-7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645088
7-(2-chlorophenyl)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060657
(4R,7R)-7-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645131
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443701
(4S,7R)-7-(2-chlorophenyl)-4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 27522072
4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061732
4-(2-chlorophenyl)-7-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062026
(4S,7R)-4-(2-chloro-6-fluorophenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645292
(4S,7R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123691
7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060583

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17060707) is 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccccc2F)C2=C(CC(c3ccccc3Cl)CC2=O)N1.
What is the InChIKey of 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is DBWRHXJXPLJKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO2/c22-16-7-3-1-5-13(16)12-9-18-21(19(25)10-12)15(11-20(26)24-18)14-6-2-4-8-17(14)23/h1-8,12,15H,9-11H2,(H,24,26).
What are the key properties of 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 369.82 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17060707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).