methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate

C19H18N2O5 — CID 16545427

IUPACmethyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C19H18N2O5/c1-12-6-7-21-17(8-12)20-13(9-18(21)22)11-26-16-10-14(24-2)4-5-15(16)19(23)25-3/h4-10H,11H2,1-3H3
InChIKeyHTCQFHSCCDHVJN-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.38
Rot. Bonds5

About methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate

methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate (PubChem CID 16545427) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
PubChem CID16545427
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C19H18N2O5/c1-12-6-7-21-17(8-12)20-13(9-18(21)22)11-26-16-10-14(24-2)4-5-15(16)19(23)25-3/h4-10H,11H2,1-3H3
InChIKeyHTCQFHSCCDHVJN-UHFFFAOYSA-N
XLogP2.38
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356426
4-methoxy-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802599
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646
1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
CID 46356408
ethyl 2-[[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356326
1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356469
2-(4-chlorophenoxy)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46356456
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 46356450
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 46356336

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The IUPAC name of methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate (CID 16545427) is methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate is COC(=O)c1ccc(OC)cc1OCc1cc(=O)n2ccc(C)cc2n1.
What is the InChIKey of methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
The InChIKey is HTCQFHSCCDHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-6-7-21-17(8-12)20-13(9-18(21)22)11-26-16-10-14(24-2)4-5-15(16)19(23)25-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate?
methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate is sourced from PubChem (CID 16545427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).