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

C23H22FNO2 — CID 23887269

IUPAC1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C23H22FNO2/c1-14-5-3-6-19(15(14)2)25-20-7-4-8-21(26)23(20)18(13-22(25)27)16-9-11-17(24)12-10-16/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3
InChIKeyWPIXKUSRKQYYRC-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.97
Rot. Bonds2

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

1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23887269) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23887269
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C23H22FNO2/c1-14-5-3-6-19(15(14)2)25-20-7-4-8-21(26)23(20)18(13-22(25)27)16-9-11-17(24)12-10-16/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3
InChIKeyWPIXKUSRKQYYRC-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23887269) is 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2CCCC3=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is WPIXKUSRKQYYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-14-5-3-6-19(15(14)2)25-20-7-4-8-21(26)23(20)18(13-22(25)27)16-9-11-17(24)12-10-16/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 363.43 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23887269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).