methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate

C19H18N2O5 — CID 95860230

IUPACmethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
SMILESCOC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H18N2O5/c1-10-7-15(22)17(19(25)20-10)12(9-16(23)26-2)13-8-11-5-3-4-6-14(11)21-18(13)24/h3-8,12H,9H2,1-2H3,(H,21,24)(H2,20,22,25)/t12-/m1/s1
InChIKeyOTNRUZBCLZSVSD-GFCCVEGCSA-N
MW354.36 g/mol
LogP1.93
Rot. Bonds4

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

methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate (PubChem CID 95860230) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
PubChem CID95860230
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
SMILESCOC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H18N2O5/c1-10-7-15(22)17(19(25)20-10)12(9-16(23)26-2)13-8-11-5-3-4-6-14(11)21-18(13)24/h3-8,12H,9H2,1-2H3,(H,21,24)(H2,20,22,25)/t12-/m1/s1
InChIKeyOTNRUZBCLZSVSD-GFCCVEGCSA-N
XLogP1.93
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[2-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95860068
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
CID 95860341
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
CID 95859314
methyl (3R)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 97424906
methyl 3-[1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoate
CID 110208129
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
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
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 75491361
methyl (3R)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 98885073
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
CID 71692099
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate?
The IUPAC name of methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate (CID 95860230) is methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate?
The canonical SMILES for methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate is COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate?
The InChIKey is OTNRUZBCLZSVSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-10-7-15(22)17(19(25)20-10)12(9-16(23)26-2)13-8-11-5-3-4-6-14(11)21-18(13)24/h3-8,12H,9H2,1-2H3,(H,21,24)(H2,20,22,25)/t12-/m1/s1.
What are the key properties of methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate?
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate has a molecular weight of 354.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate is sourced from PubChem (CID 95860230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).