ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate

C20H18ClNO4 — CID 90417406

IUPACethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cc2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H18ClNO4/c1-2-25-19(23)10-15-9-14-6-7-17(11-18(14)22-20(15)24)26-12-13-4-3-5-16(21)8-13/h3-9,11H,2,10,12H2,1H3,(H,22,24)
InChIKeyZNAOEZPYEJZJPW-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.87
Rot. Bonds6

About ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate

ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate (PubChem CID 90417406) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate
PubChem CID90417406
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Nameethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cc2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H18ClNO4/c1-2-25-19(23)10-15-9-14-6-7-17(11-18(14)22-20(15)24)26-12-13-4-3-5-16(21)8-13/h3-9,11H,2,10,12H2,1H3,(H,22,24)
InChIKeyZNAOEZPYEJZJPW-UHFFFAOYSA-N
XLogP3.87
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59760044
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ethyl 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624281
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
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ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
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2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
ethyl 4-[2-(3-chlorophenyl)ethyl]-2-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-3-carboxylate
CID 70535337
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-(3-chlorophenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1430972
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate?
The IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate (CID 90417406) is ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate is CCOC(=O)Cc1cc2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O.
What is the InChIKey of ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate?
The InChIKey is ZNAOEZPYEJZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-2-25-19(23)10-15-9-14-6-7-17(11-18(14)22-20(15)24)26-12-13-4-3-5-16(21)8-13/h3-9,11H,2,10,12H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate?
ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate has a molecular weight of 371.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(3-chlorophenyl)methoxy]-2-oxo-1H-quinolin-3-yl]acetate is sourced from PubChem (CID 90417406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).