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

C24H23BrFNO3 — CID 17065070

IUPAC4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCCOc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C24H23BrFNO3/c1-2-9-30-17-6-3-14(4-7-17)16-11-21-24(22(28)12-16)18(13-23(29)27-21)15-5-8-20(26)19(25)10-15/h3-8,10,16,18H,2,9,11-13H2,1H3,(H,27,29)
InChIKeySNCOWEJMCYRVIR-UHFFFAOYSA-N
MW472.35 g/mol
LogP5.38
Rot. Bonds5

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

4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17065070) has the molecular formula C24H23BrFNO3 and a molecular weight of 472.35 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17065070
Molecular FormulaC24H23BrFNO3
Molecular Weight472.35 g/mol
Exact Mass471.08
IUPAC Name4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCCOc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C24H23BrFNO3/c1-2-9-30-17-6-3-14(4-7-17)16-11-21-24(22(28)12-16)18(13-23(29)27-21)15-5-8-20(26)19(25)10-15/h3-8,10,16,18H,2,9,11-13H2,1H3,(H,27,29)
InChIKeySNCOWEJMCYRVIR-UHFFFAOYSA-N
XLogP5.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.35
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4R,7R)-7-(4-fluorophenyl)-4-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413243
4-naphthalen-2-yl-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064929
4-(4-chloro-3-nitrophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062722
4-(4-methyl-3-nitrophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063005
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123647
7-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062174
4-(3-bromo-4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 3244116
4-(3-bromo-4-methoxyphenyl)-7-(4-ethoxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063806
4-(3-fluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060683
(4R,7S)-4-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645214
(4R,7R)-4-(4-ethylphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413264
(4S,7R)-4-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645206

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17065070) is 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCCOc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is SNCOWEJMCYRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFNO3/c1-2-9-30-17-6-3-14(4-7-17)16-11-21-24(22(28)12-16)18(13-23(29)27-21)15-5-8-20(26)19(25)10-15/h3-8,10,16,18H,2,9,11-13H2,1H3,(H,27,29).
What are the key properties of 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 472.35 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).