methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate

C17H14N2O4 — CID 51293876

IUPACmethyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)12-5-7-14(8-6-12)23-11-13-10-16(20)19-9-3-2-4-15(19)18-13/h2-10H,11H2,1H3
InChIKeyYDFJEGRQNRHWTP-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.06
Rot. Bonds4

About methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate

methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate (PubChem CID 51293876) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
PubChem CID51293876
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O4/c1-22-17(21)12-5-7-14(8-6-12)23-11-13-10-16(20)19-9-3-2-4-15(19)18-13/h2-10H,11H2,1H3
InChIKeyYDFJEGRQNRHWTP-UHFFFAOYSA-N
XLogP2.06
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate with MolForge

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Related Compounds

N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
methyl 4-[[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356426
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428
methyl 4-[[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356195
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293842
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
3,4-dimethoxy-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355860
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The IUPAC name of methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate (CID 51293876) is methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The InChIKey is YDFJEGRQNRHWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-17(21)12-5-7-14(8-6-12)23-11-13-10-16(20)19-9-3-2-4-15(19)18-13/h2-10H,11H2,1H3.
What are the key properties of methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate has a molecular weight of 310.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate is sourced from PubChem (CID 51293876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).