1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

C17H23NO2 — CID 102662492

IUPAC1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2CC1CCOCC1
InChIInChI=1S/C17H23NO2/c1-13(19)15-4-5-17-16(11-15)3-2-8-18(17)12-14-6-9-20-10-7-14/h4-5,11,14H,2-3,6-10,12H2,1H3
InChIKeyBMZWZNQHLBLHNF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds3

About 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 102662492) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID102662492
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2CC1CCOCC1
InChIInChI=1S/C17H23NO2/c1-13(19)15-4-5-17-16(11-15)3-2-8-18(17)12-14-6-9-20-10-7-14/h4-5,11,14H,2-3,6-10,12H2,1H3
InChIKeyBMZWZNQHLBLHNF-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone with MolForge

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Related Compounds

1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-4-yl]ethanone
CID 115106162
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
2-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 115105966
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662518
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
8-bromo-1-(oxan-4-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 175164732
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 102662492) is 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2CC1CCOCC1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is BMZWZNQHLBLHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(19)15-4-5-17-16(11-15)3-2-8-18(17)12-14-6-9-20-10-7-14/h4-5,11,14H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 102662492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).