4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C27H22FNO3 — CID 23943221

IUPAC4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1F)CC(=O)N2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22FNO3/c28-23-10-5-4-9-21(23)22-17-26(31)29(24-11-6-12-25(30)27(22)24)18-13-15-20(16-14-18)32-19-7-2-1-3-8-19/h1-5,7-10,13-16,22H,6,11-12,17H2
InChIKeyMAGWDCFVEUBHJL-UHFFFAOYSA-N
MW427.48 g/mol
LogP6.15
Rot. Bonds4

About 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23943221) has the molecular formula C27H22FNO3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23943221
Molecular FormulaC27H22FNO3
Molecular Weight427.48 g/mol
Exact Mass427.16
IUPAC Name4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1F)CC(=O)N2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22FNO3/c28-23-10-5-4-9-21(23)22-17-26(31)29(24-11-6-12-25(30)27(22)24)18-13-15-20(16-14-18)32-19-7-2-1-3-8-19/h1-5,7-10,13-16,22H,6,11-12,17H2
InChIKeyMAGWDCFVEUBHJL-UHFFFAOYSA-N
XLogP6.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999030
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
(4S)-4-(2-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266986
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859455
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691
1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943203
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23943221) is 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccccc1F)CC(=O)N2c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is MAGWDCFVEUBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO3/c28-23-10-5-4-9-21(23)22-17-26(31)29(24-11-6-12-25(30)27(22)24)18-13-15-20(16-14-18)32-19-7-2-1-3-8-19/h1-5,7-10,13-16,22H,6,11-12,17H2.
What are the key properties of 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 427.48 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23943221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).