ethyl 3-(6-methoxyquinolin-4-yl)propanoate

C15H17NO3 — CID 66736782

IUPACethyl 3-(6-methoxyquinolin-4-yl)propanoate
SMILESCCOC(=O)CCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C15H17NO3/c1-3-19-15(17)7-4-11-8-9-16-14-6-5-12(18-2)10-13(11)14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyWCSXKFMWOQZJHZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.74
Rot. Bonds5

About ethyl 3-(6-methoxyquinolin-4-yl)propanoate

ethyl 3-(6-methoxyquinolin-4-yl)propanoate (PubChem CID 66736782) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-(6-methoxyquinolin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-methoxyquinolin-4-yl)propanoate
PubChem CID66736782
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-(6-methoxyquinolin-4-yl)propanoate
SMILESCCOC(=O)CCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C15H17NO3/c1-3-19-15(17)7-4-11-8-9-16-14-6-5-12(18-2)10-13(11)14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyWCSXKFMWOQZJHZ-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
4-(2-isocyanatoethyl)-6-methoxyquinoline
CID 121004004
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
CID 170330860
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate
CID 165345065
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206
ethane;(1E)-2-ethyl-N-[2-(6-methoxyquinolin-4-yl)ethyl]buta-1,3-dien-1-amine
CID 162736855
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methoxyquinolin-4-yl)propanoate?
The IUPAC name of ethyl 3-(6-methoxyquinolin-4-yl)propanoate (CID 66736782) is ethyl 3-(6-methoxyquinolin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-methoxyquinolin-4-yl)propanoate?
The canonical SMILES for ethyl 3-(6-methoxyquinolin-4-yl)propanoate is CCOC(=O)CCc1ccnc2ccc(OC)cc12.
What is the InChIKey of ethyl 3-(6-methoxyquinolin-4-yl)propanoate?
The InChIKey is WCSXKFMWOQZJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-19-15(17)7-4-11-8-9-16-14-6-5-12(18-2)10-13(11)14/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of ethyl 3-(6-methoxyquinolin-4-yl)propanoate?
ethyl 3-(6-methoxyquinolin-4-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methoxyquinolin-4-yl)propanoate is sourced from PubChem (CID 66736782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).