methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate

C15H17NO5 — CID 21294790

IUPACmethyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
SMILESCCC(=O)N1CCC(=O)c2cc(OCC(=O)OC)ccc21
InChIInChI=1S/C15H17NO5/c1-3-14(18)16-7-6-13(17)11-8-10(4-5-12(11)16)21-9-15(19)20-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyXZBGRGBZTSHYIG-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate

methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate (PubChem CID 21294790) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
PubChem CID21294790
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
SMILESCCC(=O)N1CCC(=O)c2cc(OCC(=O)OC)ccc21
InChIInChI=1S/C15H17NO5/c1-3-14(18)16-7-6-13(17)11-8-10(4-5-12(11)16)21-9-15(19)20-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyXZBGRGBZTSHYIG-UHFFFAOYSA-N
XLogP1.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
CID 137347729
6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one
CID 82396270
methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate
CID 740385
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
1-(6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-1-one
CID 3067737
methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
CID 55915477

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate?
The IUPAC name of methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate (CID 21294790) is methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate is CCC(=O)N1CCC(=O)c2cc(OCC(=O)OC)ccc21.
What is the InChIKey of methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate?
The InChIKey is XZBGRGBZTSHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-3-14(18)16-7-6-13(17)11-8-10(4-5-12(11)16)21-9-15(19)20-2/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate?
methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate has a molecular weight of 291.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate is sourced from PubChem (CID 21294790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).