4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C24H23F2NO3 — CID 17061251

IUPAC4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H23F2NO3/c1-13(2)30-17-6-3-14(4-7-17)15-9-21-24(22(28)10-15)19(12-23(29)27-21)18-11-16(25)5-8-20(18)26/h3-8,11,13,15,19H,9-10,12H2,1-2H3,(H,27,29)
InChIKeyPUVAGUYRNBSYNT-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.76
Rot. Bonds4

About 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17061251) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17061251
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H23F2NO3/c1-13(2)30-17-6-3-14(4-7-17)15-9-21-24(22(28)10-15)19(12-23(29)27-21)18-11-16(25)5-8-20(18)26/h3-8,11,13,15,19H,9-10,12H2,1-2H3,(H,27,29)
InChIKeyPUVAGUYRNBSYNT-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061732
(4R,7R)-4-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645421
4-naphthalen-2-yl-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064042
4-(3-methylphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061722
7-[4-(2-methylpropoxy)phenyl]-4-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061191
4-(3,4-diethoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062707
(4R,7S)-4-(4-hydroxy-3-methoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444283
(4S,7S)-4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645428
4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17122375
4-(3-fluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060683
(4R,7R)-4-(4-ethylphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413264
6-(5-bromo-2-fluorophenyl)-9-(4-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17063614

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17061251) is 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CC(C)Oc1ccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cc(F)ccc2F)cc1.
What is the InChIKey of 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is PUVAGUYRNBSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-13(2)30-17-6-3-14(4-7-17)15-9-21-24(22(28)10-15)19(12-23(29)27-21)18-11-16(25)5-8-20(18)26/h3-8,11,13,15,19H,9-10,12H2,1-2H3,(H,27,29).
What are the key properties of 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 411.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17061251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).