1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one

C13H17NO2 — CID 107507115

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-16-10-12(15)9-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyWFCSHZKCTDQUJK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one (PubChem CID 107507115) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
PubChem CID107507115
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-16-10-12(15)9-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyWFCSHZKCTDQUJK-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
ethyl 4-oxo-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pentanoate
CID 103484512
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one (CID 107507115) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one is COCC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one?
The InChIKey is WFCSHZKCTDQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-10-12(15)9-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7H,4,6,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).