1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

C16H19NO — CID 102662508

IUPAC1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC#CCCN1CCCc2cc(C(C)=O)ccc21
InChIInChI=1S/C16H19NO/c1-3-4-5-10-17-11-6-7-15-12-14(13(2)18)8-9-16(15)17/h8-9,12H,5-7,10-11H2,1-2H3
InChIKeyDFZISLXHSQMONW-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.06
Rot. Bonds3

About 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone (PubChem CID 102662508) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
PubChem CID102662508
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC#CCCN1CCCc2cc(C(C)=O)ccc21
InChIInChI=1S/C16H19NO/c1-3-4-5-10-17-11-6-7-15-12-14(13(2)18)8-9-16(15)17/h8-9,12H,5-7,10-11H2,1-2H3
InChIKeyDFZISLXHSQMONW-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662559
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662555
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662518
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224

Frequently Asked Questions

What is the IUPAC name of 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The IUPAC name of 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone (CID 102662508) is 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone.
What is the SMILES notation for 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The canonical SMILES for 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone is CC#CCCN1CCCc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The InChIKey is DFZISLXHSQMONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-4-5-10-17-11-6-7-15-12-14(13(2)18)8-9-16(15)17/h8-9,12H,5-7,10-11H2,1-2H3.
What are the key properties of 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone is sourced from PubChem (CID 102662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).