(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate

C23H20N2O4 — CID 51237236

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate
SMILESCCc1oc2ccccc2c1/C=C/C(=O)OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C23H20N2O4/c1-3-19-18(17-6-4-5-7-20(17)29-19)9-11-23(27)28-14-16-12-22(26)25-13-15(2)8-10-21(25)24-16/h4-13H,3,14H2,1-2H3/b11-9+
InChIKeyOYTKWSXKIDCWGJ-PKNBQFBNSA-N
MW388.42 g/mol
LogP4.07
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate (PubChem CID 51237236) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate
PubChem CID51237236
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate
SMILESCCc1oc2ccccc2c1/C=C/C(=O)OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C23H20N2O4/c1-3-19-18(17-6-4-5-7-20(17)29-19)9-11-23(27)28-14-16-12-22(26)25-13-15(2)8-10-21(25)24-16/h4-13H,3,14H2,1-2H3/b11-9+
InChIKeyOYTKWSXKIDCWGJ-PKNBQFBNSA-N
XLogP4.07
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 7736337
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7542701
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 7546927
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 7549381
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 8536051
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate
CID 8565907
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7548126
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzylbutanoate
CID 166203540
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-phenylpropanoate
CID 166333269

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate (CID 51237236) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate is CCc1oc2ccccc2c1/C=C/C(=O)OCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate?
The InChIKey is OYTKWSXKIDCWGJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-19-18(17-6-4-5-7-20(17)29-19)9-11-23(27)28-14-16-12-22(26)25-13-15(2)8-10-21(25)24-16/h4-13H,3,14H2,1-2H3/b11-9+.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate has a molecular weight of 388.42 g/mol, XLogP of 4.07, 5 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 (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoate is sourced from PubChem (CID 51237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).