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

C19H16N2O4 — CID 45352057

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate
SMILESO=C(CCC(=O)c1ccccc1)OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H16N2O4/c22-16(14-6-2-1-3-7-14)9-10-19(24)25-13-15-12-18(23)21-11-5-4-8-17(21)20-15/h1-8,11-12H,9-10,13H2
InChIKeyCJCJAIHJBXZJBA-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.40
Rot. Bonds6

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

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate (PubChem CID 45352057) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate
PubChem CID45352057
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate
SMILESO=C(CCC(=O)c1ccccc1)OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H16N2O4/c22-16(14-6-2-1-3-7-14)9-10-19(24)25-13-15-12-18(23)21-11-5-4-8-17(21)20-15/h1-8,11-12H,9-10,13H2
InChIKeyCJCJAIHJBXZJBA-UHFFFAOYSA-N
XLogP2.40
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 47009528
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
CID 17424407
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-thiophen-3-ylpropanoate
CID 47009919
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 47009526
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl thiophene-3-carboxylate
CID 17471308
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 4009223
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-phenylethyl)benzoate
CID 18203378
(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-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 55404683
(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 2-[(2-phenylacetyl)amino]benzoate
CID 55404463

Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate (CID 45352057) is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate is O=C(CCC(=O)c1ccccc1)OCc1cc(=O)n2ccccc2n1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate?
The InChIKey is CJCJAIHJBXZJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-16(14-6-2-1-3-7-14)9-10-19(24)25-13-15-12-18(23)21-11-5-4-8-17(21)20-15/h1-8,11-12H,9-10,13H2.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-phenylbutanoate has a molecular weight of 336.35 g/mol, XLogP of 2.40, 6 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 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 45352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).