(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C19H16N2O5 — CID 7542886

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCc1ccc2nc(COC(=O)c3ccc4c(c3)OCCO4)cc(=O)n2c1
InChIInChI=1S/C19H16N2O5/c1-12-2-5-17-20-14(9-18(22)21(17)10-12)11-26-19(23)13-3-4-15-16(8-13)25-7-6-24-15/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYRPGDRUFDPHNLG-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.13
Rot. Bonds3

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 7542886) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
PubChem CID7542886
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCc1ccc2nc(COC(=O)c3ccc4c(c3)OCCO4)cc(=O)n2c1
InChIInChI=1S/C19H16N2O5/c1-12-2-5-17-20-14(9-18(22)21(17)10-12)11-26-19(23)13-3-4-15-16(8-13)25-7-6-24-15/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYRPGDRUFDPHNLG-UHFFFAOYSA-N
XLogP2.13
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.13
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 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 7542886) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is Cc1ccc2nc(COC(=O)c3ccc4c(c3)OCCO4)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The InChIKey is YRPGDRUFDPHNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-2-5-17-20-14(9-18(22)21(17)10-12)11-26-19(23)13-3-4-15-16(8-13)25-7-6-24-15/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.13, 3 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 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 7542886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).