(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

C24H18N2O4 — CID 7548126

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCc1ccc2nc(COC(=O)Cc3coc4ccc5ccccc5c34)cc(=O)n2c1
InChIInChI=1S/C24H18N2O4/c1-15-6-9-21-25-18(11-22(27)26(21)12-15)14-30-23(28)10-17-13-29-20-8-7-16-4-2-3-5-19(16)24(17)20/h2-9,11-13H,10,14H2,1H3
InChIKeyGQLMUQNDWSRZOS-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.19
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 7548126) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID7548126
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCc1ccc2nc(COC(=O)Cc3coc4ccc5ccccc5c34)cc(=O)n2c1
InChIInChI=1S/C24H18N2O4/c1-15-6-9-21-25-18(11-22(27)26(21)12-15)14-30-23(28)10-17-13-29-20-8-7-16-4-2-3-5-19(16)24(17)20/h2-9,11-13H,10,14H2,1H3
InChIKeyGQLMUQNDWSRZOS-UHFFFAOYSA-N
XLogP4.19
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate with MolForge

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Related Compounds

(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-(3,4-dimethylphenyl)acetate
CID 7548236
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
CID 51280600
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate
CID 51190465
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901659
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 42915178
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 51210301
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-cyclopropylbutanoate
CID 95234068
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 55534378
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667188
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclobutanecarboxylate
CID 7542435

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate (CID 7548126) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate is Cc1ccc2nc(COC(=O)Cc3coc4ccc5ccccc5c34)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is GQLMUQNDWSRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-15-6-9-21-25-18(11-22(27)26(21)12-15)14-30-23(28)10-17-13-29-20-8-7-16-4-2-3-5-19(16)24(17)20/h2-9,11-13H,10,14H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 398.42 g/mol, XLogP of 4.19, 4 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 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 7548126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).