methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate

C19H19NO6 — CID 95122054

IUPACmethyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1[C@H]1CC(=O)Nc2cc(OC)c(O)cc21
InChIInChI=1S/C19H19NO6/c1-24-17-9-14-13(7-15(17)21)12(8-18(22)20-14)11-5-3-4-6-16(11)26-10-19(23)25-2/h3-7,9,12,21H,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyJMTFIILIZPHNRY-GFCCVEGCSA-N
MW357.36 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate

methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate (PubChem CID 95122054) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
PubChem CID95122054
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1[C@H]1CC(=O)Nc2cc(OC)c(O)cc21
InChIInChI=1S/C19H19NO6/c1-24-17-9-14-13(7-15(17)21)12(8-18(22)20-14)11-5-3-4-6-16(11)26-10-19(23)25-2/h3-7,9,12,21H,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyJMTFIILIZPHNRY-GFCCVEGCSA-N
XLogP2.43
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate with MolForge

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Related Compounds

N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122358
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate
CID 171911246
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate (CID 95122054) is methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate is COC(=O)COc1ccccc1[C@H]1CC(=O)Nc2cc(OC)c(O)cc21.
What is the InChIKey of methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate?
The InChIKey is JMTFIILIZPHNRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-17-9-14-13(7-15(17)21)12(8-18(22)20-14)11-5-3-4-6-16(11)26-10-19(23)25-2/h3-7,9,12,21H,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate?
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate has a molecular weight of 357.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate is sourced from PubChem (CID 95122054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).