(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate

C20H15N3O5 — CID 8606101

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)C(=O)c4ccccc43)cc(=O)n2c1
InChIInChI=1S/C20H15N3O5/c1-12-6-7-16-21-13(8-17(24)23(16)9-12)11-28-18(25)10-22-15-5-3-2-4-14(15)19(26)20(22)27/h2-9H,10-11H2,1H3
InChIKeyBXSFOUQPSLARSN-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.28
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 8606101) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID8606101
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)C(=O)c4ccccc43)cc(=O)n2c1
InChIInChI=1S/C20H15N3O5/c1-12-6-7-16-21-13(8-17(24)23(16)9-12)11-28-18(25)10-22-15-5-3-2-4-14(15)19(26)20(22)27/h2-9H,10-11H2,1H3
InChIKeyBXSFOUQPSLARSN-UHFFFAOYSA-N
XLogP1.28
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate (CID 8606101) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate is Cc1ccc2nc(COC(=O)CN3C(=O)C(=O)c4ccccc43)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is BXSFOUQPSLARSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-12-6-7-16-21-13(8-17(24)23(16)9-12)11-28-18(25)10-22-15-5-3-2-4-14(15)19(26)20(22)27/h2-9H,10-11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 377.36 g/mol, XLogP of 1.28, 4 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-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 8606101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).