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

C22H20FNO2 — CID 5153399

IUPAC1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C22H20FNO2/c1-14-5-7-15(8-6-14)18-13-21(26)24(17-11-9-16(23)10-12-17)19-3-2-4-20(25)22(18)19/h5-12,18H,2-4,13H2,1H3
InChIKeyGCELNNYHNLMJAW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.66
Rot. Bonds2

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

1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 5153399) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID5153399
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C22H20FNO2/c1-14-5-7-15(8-6-14)18-13-21(26)24(17-11-9-16(23)10-12-17)19-3-2-4-20(25)22(18)19/h5-12,18H,2-4,13H2,1H3
InChIKeyGCELNNYHNLMJAW-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 5153399) is 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is GCELNNYHNLMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-14-5-7-15(8-6-14)18-13-21(26)24(17-11-9-16(23)10-12-17)19-3-2-4-20(25)22(18)19/h5-12,18H,2-4,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 349.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 5153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).