(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate

C16H15NO6 — CID 15379325

IUPAC(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)Cc1cc(OC)ccc1C(=O)On1ccccc1=O
InChIInChI=1S/C16H15NO6/c1-21-12-6-7-13(11(9-12)10-15(19)22-2)16(20)23-17-8-4-3-5-14(17)18/h3-9H,10H2,1-2H3
InChIKeyKGDVVZNNWOPPGJ-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.84
Rot. Bonds5

About (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate

(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate (PubChem CID 15379325) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate
PubChem CID15379325
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)Cc1cc(OC)ccc1C(=O)On1ccccc1=O
InChIInChI=1S/C16H15NO6/c1-21-12-6-7-13(11(9-12)10-15(19)22-2)16(20)23-17-8-4-3-5-14(17)18/h3-9H,10H2,1-2H3
InChIKeyKGDVVZNNWOPPGJ-UHFFFAOYSA-N
XLogP0.84
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
potassium trifluoro-[(5-methoxy-2-methoxycarbonylphenyl)methyl]boranuide
CID 171374135
(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
CID 86979532
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 4-amino-2-(2-methoxy-2-oxoethyl)benzoate
CID 12616213
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate?
The IUPAC name of (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate (CID 15379325) is (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate.
What is the SMILES notation for (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate?
The canonical SMILES for (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate is COC(=O)Cc1cc(OC)ccc1C(=O)On1ccccc1=O.
What is the InChIKey of (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate?
The InChIKey is KGDVVZNNWOPPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-21-12-6-7-13(11(9-12)10-15(19)22-2)16(20)23-17-8-4-3-5-14(17)18/h3-9H,10H2,1-2H3.
What are the key properties of (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate?
(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate has a molecular weight of 317.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate is sourced from PubChem (CID 15379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).