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

C14H16ClNO — CID 102662516

IUPAC1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESC=C(Cl)CN1CCCc2cc(C(C)=O)ccc21
InChIInChI=1S/C14H16ClNO/c1-10(15)9-16-7-3-4-13-8-12(11(2)17)5-6-14(13)16/h5-6,8H,1,3-4,7,9H2,2H3
InChIKeyCQBMKUPHUCCNIS-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.39
Rot. Bonds3

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

1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 102662516) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID102662516
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESC=C(Cl)CN1CCCc2cc(C(C)=O)ccc21
InChIInChI=1S/C14H16ClNO/c1-10(15)9-16-7-3-4-13-8-12(11(2)17)5-6-14(13)16/h5-6,8H,1,3-4,7,9H2,2H3
InChIKeyCQBMKUPHUCCNIS-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662312
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
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
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 102662516) is 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is C=C(Cl)CN1CCCc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is CQBMKUPHUCCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10(15)9-16-7-3-4-13-8-12(11(2)17)5-6-14(13)16/h5-6,8H,1,3-4,7,9H2,2H3.
What are the key properties of 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 249.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 102662516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).