2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20N2O3 — CID 6224254

IUPAC2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESC/C=C/c1ccc(OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-4-5-15-7-8-17(18(10-15)24-3)25-13-16-11-20(23)22-12-14(2)6-9-19(22)21-16/h4-12H,13H2,1-3H3/b5-4+
InChIKeyREGQNGPYVIZHLE-SNAWJCMRSA-N
MW336.39 g/mol
LogP3.62
Rot. Bonds5

About 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 6224254) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID6224254
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESC/C=C/c1ccc(OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-4-5-15-7-8-17(18(10-15)24-3)25-13-16-11-20(23)22-12-14(2)6-9-19(22)21-16/h4-12H,13H2,1-3H3/b5-4+
InChIKeyREGQNGPYVIZHLE-SNAWJCMRSA-N
XLogP3.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 6224254) is 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is C/C=C/c1ccc(OCc2cc(=O)n3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is REGQNGPYVIZHLE-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-5-15-7-8-17(18(10-15)24-3)25-13-16-11-20(23)22-12-14(2)6-9-19(22)21-16/h4-12H,13H2,1-3H3/b5-4+.
What are the key properties of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 6224254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).