methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate

C15H17NO4 — CID 66487387

IUPACmethyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
SMILESCCOc1cccc2c(=O)ccn(C(C)C(=O)OC)c12
InChIInChI=1S/C15H17NO4/c1-4-20-13-7-5-6-11-12(17)8-9-16(14(11)13)10(2)15(18)19-3/h5-10H,4H2,1-3H3
InChIKeyOLLWVEPRWCDPBU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.13
Rot. Bonds4

About methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate

methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate (PubChem CID 66487387) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
PubChem CID66487387
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
SMILESCCOc1cccc2c(=O)ccn(C(C)C(=O)OC)c12
InChIInChI=1S/C15H17NO4/c1-4-20-13-7-5-6-11-12(17)8-9-16(14(11)13)10(2)15(18)19-3/h5-10H,4H2,1-3H3
InChIKeyOLLWVEPRWCDPBU-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
CID 66487386
methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487334
3-(8-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487335
methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207
methyl 2-(6-methoxy-4-oxoquinolin-1-yl)propanoate
CID 53269611
methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate
CID 125113147
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate
CID 83163011
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The IUPAC name of methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate (CID 66487387) is methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The canonical SMILES for methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate is CCOc1cccc2c(=O)ccn(C(C)C(=O)OC)c12.
What is the InChIKey of methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
The InChIKey is OLLWVEPRWCDPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-20-13-7-5-6-11-12(17)8-9-16(14(11)13)10(2)15(18)19-3/h5-10H,4H2,1-3H3.
What are the key properties of methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate?
methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate has a molecular weight of 275.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate is sourced from PubChem (CID 66487387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).