(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate

C13H17NO2 — CID 174458357

IUPAC(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
SMILESCCN1CC(OC(C)=O)Cc2ccccc21
InChIInChI=1S/C13H17NO2/c1-3-14-9-12(16-10(2)15)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-9H2,1-2H3
InChIKeyZWXKXGSOZNDUEG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.00
Rot. Bonds2

About (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate

(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate (PubChem CID 174458357) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
PubChem CID174458357
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
SMILESCCN1CC(OC(C)=O)Cc2ccccc21
InChIInChI=1S/C13H17NO2/c1-3-14-9-12(16-10(2)15)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-9H2,1-2H3
InChIKeyZWXKXGSOZNDUEG-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
CID 19782175
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-2-amine
CID 120849370
ethyl (E)-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoate
CID 80549810
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoic acid
CID 76999886
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
[(3R)-1-(cyanomethyl)-5-oxopyrrolidin-3-yl] acetate
CID 86316975

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate?
The IUPAC name of (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate (CID 174458357) is (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate.
What is the SMILES notation for (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate?
The canonical SMILES for (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate is CCN1CC(OC(C)=O)Cc2ccccc21.
What is the InChIKey of (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate?
The InChIKey is ZWXKXGSOZNDUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-9-12(16-10(2)15)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate?
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate has a molecular weight of 219.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate is sourced from PubChem (CID 174458357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).