ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate

C21H21NO5 — CID 18771368

IUPACethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(OC)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C21H21NO5/c1-4-27-20(23)13-22-12-18(14-5-7-15(25-2)8-6-14)21(24)17-10-9-16(26-3)11-19(17)22/h5-12H,4,13H2,1-3H3
InChIKeyHQXYOTZNFZYCQP-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate

ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate (PubChem CID 18771368) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
PubChem CID18771368
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(OC)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C21H21NO5/c1-4-27-20(23)13-22-12-18(14-5-7-15(25-2)8-6-14)21(24)17-10-9-16(26-3)11-19(17)22/h5-12H,4,13H2,1-3H3
InChIKeyHQXYOTZNFZYCQP-UHFFFAOYSA-N
XLogP3.25
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate?
The IUPAC name of ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate (CID 18771368) is ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate?
The canonical SMILES for ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate is CCOC(=O)Cn1cc(-c2ccc(OC)cc2)c(=O)c2ccc(OC)cc21.
What is the InChIKey of ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate?
The InChIKey is HQXYOTZNFZYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-27-20(23)13-22-12-18(14-5-7-15(25-2)8-6-14)21(24)17-10-9-16(26-3)11-19(17)22/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate?
ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate has a molecular weight of 367.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate is sourced from PubChem (CID 18771368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).