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

C17H18FNO2 — CID 2997336

IUPAC4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)11(7-15(21)19-13)10-5-3-4-6-12(10)18/h3-6,11H,7-9H2,1-2H3,(H,19,21)
InChIKeySMEHVXSLFHQZHO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.07
Rot. Bonds1

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

4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 2997336) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID2997336
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)11(7-15(21)19-13)10-5-3-4-6-12(10)18/h3-6,11H,7-9H2,1-2H3,(H,19,21)
InChIKeySMEHVXSLFHQZHO-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 2997336) is 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is SMEHVXSLFHQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2)8-13-16(14(20)9-17)11(7-15(21)19-13)10-5-3-4-6-12(10)18/h3-6,11H,7-9H2,1-2H3,(H,19,21).
What are the key properties of 4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-(2-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-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 2997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).