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

C20H16N4O4 — CID 7545890

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1ccc2nc(COC(=O)Cn3cnc4ccccc4c3=O)cc(=O)n2c1
InChIInChI=1S/C20H16N4O4/c1-13-6-7-17-22-14(8-18(25)24(17)9-13)11-28-19(26)10-23-12-21-16-5-3-2-4-15(16)20(23)27/h2-9,12H,10-11H2,1H3
InChIKeyZRCJGCSIHZXGDT-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.46
Rot. Bonds4

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7545890) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7545890
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1ccc2nc(COC(=O)Cn3cnc4ccccc4c3=O)cc(=O)n2c1
InChIInChI=1S/C20H16N4O4/c1-13-6-7-17-22-14(8-18(25)24(17)9-13)11-28-19(26)10-23-12-21-16-5-3-2-4-15(16)20(23)27/h2-9,12H,10-11H2,1H3
InChIKeyZRCJGCSIHZXGDT-UHFFFAOYSA-N
XLogP1.46
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 7545890) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is Cc1ccc2nc(COC(=O)Cn3cnc4ccccc4c3=O)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is ZRCJGCSIHZXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-13-6-7-17-22-14(8-18(25)24(17)9-13)11-28-19(26)10-23-12-21-16-5-3-2-4-15(16)20(23)27/h2-9,12H,10-11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 376.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7545890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).