(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate

C18H15FN2O3 — CID 8509885

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(F)cc3)cc(=O)n2c1
InChIInChI=1S/C18H15FN2O3/c1-12-2-7-16-20-15(9-17(22)21(16)10-12)11-24-18(23)8-13-3-5-14(19)6-4-13/h2-7,9-10H,8,11H2,1H3
InChIKeyHDQKHOYWCNWFOK-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.43
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate (PubChem CID 8509885) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate
PubChem CID8509885
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(F)cc3)cc(=O)n2c1
InChIInChI=1S/C18H15FN2O3/c1-12-2-7-16-20-15(9-17(22)21(16)10-12)11-24-18(23)8-13-3-5-14(19)6-4-13/h2-7,9-10H,8,11H2,1H3
InChIKeyHDQKHOYWCNWFOK-UHFFFAOYSA-N
XLogP2.43
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate (CID 8509885) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate is Cc1ccc2nc(COC(=O)Cc3ccc(F)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate?
The InChIKey is HDQKHOYWCNWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-12-2-7-16-20-15(9-17(22)21(16)10-12)11-24-18(23)8-13-3-5-14(19)6-4-13/h2-7,9-10H,8,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate has a molecular weight of 326.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8509885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).