3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone

C16H14FNO — CID 879640

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H14FNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyOEKXGXUNFOTAQT-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.42
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone (PubChem CID 879640) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone
PubChem CID879640
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H14FNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyOEKXGXUNFOTAQT-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone (CID 879640) is 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone?
The InChIKey is OEKXGXUNFOTAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-fluorophenyl)methanone is sourced from PubChem (CID 879640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).