methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate

C13H13NO5 — CID 171864848

IUPACmethyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C13H13NO5/c1-19-13(18)12(17)11(16)7-2-3-8-9(6-7)14-5-4-10(8)15/h2-6,11-12,16-17H,1H3,(H,14,15)
InChIKeyYQRWGIAHIDSEPO-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.10
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate

methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate (PubChem CID 171864848) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
PubChem CID171864848
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namemethyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C13H13NO5/c1-19-13(18)12(17)11(16)7-2-3-8-9(6-7)14-5-4-10(8)15/h2-6,11-12,16-17H,1H3,(H,14,15)
InChIKeyYQRWGIAHIDSEPO-UHFFFAOYSA-N
XLogP0.10
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dihydroxy-4-(4-oxo-1H-quinolin-6-yl)butanoate
CID 171896381
methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
CID 171865046
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanoate
CID 171864805
methyl 3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863832
methyl 3-[3,4-bis(difluoromethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171865250
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
methyl 3-(6-fluoro-1H-indol-3-yl)-2,3-dihydroxypropanoate
CID 171865464
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate (CID 171864848) is methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate is COC(=O)C(O)C(O)c1ccc2c(=O)cc[nH]c2c1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate?
The InChIKey is YQRWGIAHIDSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-19-13(18)12(17)11(16)7-2-3-8-9(6-7)14-5-4-10(8)15/h2-6,11-12,16-17H,1H3,(H,14,15).
What are the key properties of methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate?
methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate has a molecular weight of 263.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(4-oxo-1H-quinolin-7-yl)propanoate is sourced from PubChem (CID 171864848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).