1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione

C23H22FNO2 — CID 3517975

IUPAC1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccccc1
InChIInChI=1S/C23H22FNO2/c1-23(2)13-19-22(20(26)14-23)18(15-6-4-3-5-7-15)12-21(27)25(19)17-10-8-16(24)9-11-17/h3-11,18H,12-14H2,1-2H3
InChIKeyPTMAXPBFCHMZQU-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.99
Rot. Bonds2

About 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione

1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 3517975) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID3517975
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccccc1
InChIInChI=1S/C23H22FNO2/c1-23(2)13-19-22(20(26)14-23)18(15-6-4-3-5-7-15)12-21(27)25(19)17-10-8-16(24)9-11-17/h3-11,18H,12-14H2,1-2H3
InChIKeyPTMAXPBFCHMZQU-UHFFFAOYSA-N
XLogP4.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 3517975) is 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is PTMAXPBFCHMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-23(2)13-19-22(20(26)14-23)18(15-6-4-3-5-7-15)12-21(27)25(19)17-10-8-16(24)9-11-17/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 363.43 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 3517975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).