(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C24H22N2O5 — CID 46814547

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCc1ccc2nc(COC(=O)COc3ccc4oc5c(c4c3)CCCC5)cc(=O)n2c1
InChIInChI=1S/C24H22N2O5/c1-15-6-9-22-25-16(10-23(27)26(22)12-15)13-30-24(28)14-29-17-7-8-21-19(11-17)18-4-2-3-5-20(18)31-21/h6-12H,2-5,13-14H2,1H3
InChIKeyYCTXDDYCHMXWOU-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.75
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 46814547) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID46814547
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCc1ccc2nc(COC(=O)COc3ccc4oc5c(c4c3)CCCC5)cc(=O)n2c1
InChIInChI=1S/C24H22N2O5/c1-15-6-9-22-25-16(10-23(27)26(22)12-15)13-30-24(28)14-29-17-7-8-21-19(11-17)18-4-2-3-5-20(18)31-21/h6-12H,2-5,13-14H2,1H3
InChIKeyYCTXDDYCHMXWOU-UHFFFAOYSA-N
XLogP3.75
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 46814547) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is Cc1ccc2nc(COC(=O)COc3ccc4oc5c(c4c3)CCCC5)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is YCTXDDYCHMXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-15-6-9-22-25-16(10-23(27)26(22)12-15)13-30-24(28)14-29-17-7-8-21-19(11-17)18-4-2-3-5-20(18)31-21/h6-12H,2-5,13-14H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 418.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 46814547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).