(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone

C15H18FNO2 — CID 71879680

IUPAC(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCCc2cccc(F)c21
InChIInChI=1S/C15H18FNO2/c16-13-7-1-4-11-5-2-8-17(14(11)13)15(18)12-6-3-9-19-10-12/h1,4,7,12H,2-3,5-6,8-10H2
InChIKeyHCTGFFPYIKZUPE-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.53
Rot. Bonds1

About (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone

(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone (PubChem CID 71879680) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
PubChem CID71879680
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCCc2cccc(F)c21
InChIInChI=1S/C15H18FNO2/c16-13-7-1-4-11-5-2-8-17(14(11)13)15(18)12-6-3-9-19-10-12/h1,4,7,12H,2-3,5-6,8-10H2
InChIKeyHCTGFFPYIKZUPE-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone (CID 71879680) is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone is O=C(C1CCCOC1)N1CCCc2cccc(F)c21.
What is the InChIKey of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The InChIKey is HCTGFFPYIKZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-7-1-4-11-5-2-8-17(14(11)13)15(18)12-6-3-9-19-10-12/h1,4,7,12H,2-3,5-6,8-10H2.
What are the key properties of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone has a molecular weight of 263.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 71879680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).