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

C23H16N2O4 — CID 17424407

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-21-14-17(24-20-12-6-7-13-25(20)21)15-29-23(28)19-11-5-4-10-18(19)22(27)16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyDVRMTMAFPHWPTL-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.28
Rot. Bonds5

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

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate (PubChem CID 17424407) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
PubChem CID17424407
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-21-14-17(24-20-12-6-7-13-25(20)21)15-29-23(28)19-11-5-4-10-18(19)22(27)16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyDVRMTMAFPHWPTL-UHFFFAOYSA-N
XLogP3.28
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl thiophene-3-carboxylate
CID 17471308
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate
CID 45352057
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 92518637
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100116
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 166202122
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
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CID 55405103
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethylthiadiazole-5-carboxylate
CID 42895383
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55404353
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate (CID 17424407) is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate is O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate?
The InChIKey is DVRMTMAFPHWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-21-14-17(24-20-12-6-7-13-25(20)21)15-29-23(28)19-11-5-4-10-18(19)22(27)16-8-2-1-3-9-16/h1-14H,15H2.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate has a molecular weight of 384.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate is sourced from PubChem (CID 17424407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).