ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate

C16H23NO2 — CID 64661866

IUPACethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCc2cc(C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-14(16(18)19-5-2)17-10-6-7-13-11-12(3)8-9-15(13)17/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyOSZHLRARRXMIDI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.09
Rot. Bonds4

About ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate

ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate (PubChem CID 64661866) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
PubChem CID64661866
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCc2cc(C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-14(16(18)19-5-2)17-10-6-7-13-11-12(3)8-9-15(13)17/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyOSZHLRARRXMIDI-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 43174989
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
CID 64663497
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
CID 54945506
1-ethoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63934170
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The IUPAC name of ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate (CID 64661866) is ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCc2cc(C)ccc21.
What is the InChIKey of ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The InChIKey is OSZHLRARRXMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-14(16(18)19-5-2)17-10-6-7-13-11-12(3)8-9-15(13)17/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate has a molecular weight of 261.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate is sourced from PubChem (CID 64661866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).