methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate

C15H17NO4 — CID 66487334

IUPACmethyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
SMILESCCOc1cccc2c(=O)ccn(CCC(=O)OC)c12
InChIInChI=1S/C15H17NO4/c1-3-20-13-6-4-5-11-12(17)7-9-16(15(11)13)10-8-14(18)19-2/h4-7,9H,3,8,10H2,1-2H3
InChIKeyIWSWYEIWROSPQH-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.96
Rot. Bonds5

About methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate

methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate (PubChem CID 66487334) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
PubChem CID66487334
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
SMILESCCOc1cccc2c(=O)ccn(CCC(=O)OC)c12
InChIInChI=1S/C15H17NO4/c1-3-20-13-6-4-5-11-12(17)7-9-16(15(11)13)10-8-14(18)19-2/h4-7,9H,3,8,10H2,1-2H3
InChIKeyIWSWYEIWROSPQH-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487335
methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487387
2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
CID 66487386
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The IUPAC name of methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate (CID 66487334) is methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The canonical SMILES for methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate is CCOc1cccc2c(=O)ccn(CCC(=O)OC)c12.
What is the InChIKey of methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The InChIKey is IWSWYEIWROSPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-20-13-6-4-5-11-12(17)7-9-16(15(11)13)10-8-14(18)19-2/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate has a molecular weight of 275.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate is sourced from PubChem (CID 66487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).