(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate

C16H12N2O3 — CID 10564684

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H12N2O3/c1-11-6-2-3-7-12(11)16(20)21-14-10-15(19)18-9-5-4-8-13(18)17-14/h2-10H,1H3
InChIKeyGIQYPXMVZFNAKB-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.22
Rot. Bonds2

About (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate

(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate (PubChem CID 10564684) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
PubChem CID10564684
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H12N2O3/c1-11-6-2-3-7-12(11)16(20)21-14-10-15(19)18-9-5-4-8-13(18)17-14/h2-10H,1H3
InChIKeyGIQYPXMVZFNAKB-UHFFFAOYSA-N
XLogP2.22
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate (CID 10564684) is (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate is Cc1ccccc1C(=O)Oc1cc(=O)n2ccccc2n1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate?
The InChIKey is GIQYPXMVZFNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11-6-2-3-7-12(11)16(20)21-14-10-15(19)18-9-5-4-8-13(18)17-14/h2-10H,1H3.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate has a molecular weight of 280.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate is sourced from PubChem (CID 10564684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).