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

C17H18FNO2 — CID 2997107

IUPAC4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)12(7-15(21)19-13)10-4-3-5-11(18)6-10/h3-6,12H,7-9H2,1-2H3,(H,19,21)
InChIKeyAJLPTJNKLGEQHK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.07
Rot. Bonds1

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

4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 2997107) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID2997107
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)12(7-15(21)19-13)10-4-3-5-11(18)6-10/h3-6,12H,7-9H2,1-2H3,(H,19,21)
InChIKeyAJLPTJNKLGEQHK-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-acetyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3753346
Methyl 4-(4-fluorophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
CID 2997147
4-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3162354
4-(2-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 3162372
3-Butanoyl-2,7,7-trimethyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731798
2,7,7-Trimethyl-3-pentanoyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731799
4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17122372
3,3,6,6-Tetramethyl-9-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 623300
3,3,6,6-Tetramethyl-9-p-tolyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 985441
9-Phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 796695
3,3,6,6-Tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 983416
4-(2-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 2997336

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 2997107) is 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is AJLPTJNKLGEQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)12(7-15(21)19-13)10-4-3-5-11(18)6-10/h3-6,12H,7-9H2,1-2H3,(H,19,21).
What are the key properties of 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 287.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 2997107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).