methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate

C19H18N2O4 — CID 95860341

IUPACmethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H18N2O4/c1-11-8-16(22)18(19(24)21-11)14(10-17(23)25-2)12-5-6-15-13(9-12)4-3-7-20-15/h3-9,14H,10H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyJQNRWORUUWELES-AWEZNQCLSA-N
MW338.36 g/mol
LogP2.63
Rot. Bonds4

About methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate

methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate (PubChem CID 95860341) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
PubChem CID95860341
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H18N2O4/c1-11-8-16(22)18(19(24)21-11)14(10-17(23)25-2)12-5-6-15-13(9-12)4-3-7-20-15/h3-9,14H,10H2,1-2H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyJQNRWORUUWELES-AWEZNQCLSA-N
XLogP2.63
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
CID 71826098
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-quinolin-6-ylpropanoate
CID 75492497
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[2-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95860068
ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 95859408
3-[5-[(1R)-1-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-methoxy-3-oxopropyl]furan-2-yl]benzoic acid
CID 95860212
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
CID 71692099
methyl (3R)-3-(7-chloro-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
CID 95859841
methyl (3R)-3-[3-acetyl-2,6-dihydroxy-5-[(1S)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]phenyl]-3-quinolin-6-ylpropanoate
CID 125429078

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate?
The IUPAC name of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate (CID 95860341) is methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate.
What is the SMILES notation for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate?
The canonical SMILES for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate is COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate?
The InChIKey is JQNRWORUUWELES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-8-16(22)18(19(24)21-11)14(10-17(23)25-2)12-5-6-15-13(9-12)4-3-7-20-15/h3-9,14H,10H2,1-2H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate?
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate has a molecular weight of 338.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate is sourced from PubChem (CID 95860341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).