(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate

C20H19FN2O4 — CID 51280492

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1F
InChIInChI=1S/C20H19FN2O4/c1-13-3-7-18-22-15(10-19(24)23(18)11-13)12-27-20(25)8-5-14-4-6-17(26-2)16(21)9-14/h3-4,6-7,9-11H,5,8,12H2,1-2H3
InChIKeyWWNMUNZWFUUHRP-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.83
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate (PubChem CID 51280492) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate
PubChem CID51280492
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1F
InChIInChI=1S/C20H19FN2O4/c1-13-3-7-18-22-15(10-19(24)23(18)11-13)12-27-20(25)8-5-14-4-6-17(26-2)16(21)9-14/h3-4,6-7,9-11H,5,8,12H2,1-2H3
InChIKeyWWNMUNZWFUUHRP-UHFFFAOYSA-N
XLogP2.83
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate (CID 51280492) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1F.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate?
The InChIKey is WWNMUNZWFUUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-13-3-7-18-22-15(10-19(24)23(18)11-13)12-27-20(25)8-5-14-4-6-17(26-2)16(21)9-14/h3-4,6-7,9-11H,5,8,12H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate has a molecular weight of 370.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-fluoro-4-methoxyphenyl)propanoate is sourced from PubChem (CID 51280492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).