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

C16H10Cl2N2O3 — CID 134105910

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H10Cl2N2O3/c1-9-4-5-20-13(6-9)19-14(8-15(20)21)23-16(22)11-3-2-10(17)7-12(11)18/h2-8H,1H3
InChIKeyMZDAKWQIGLZPOW-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.53
Rot. Bonds2

About (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate (PubChem CID 134105910) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
PubChem CID134105910
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
SMILESCc1ccn2c(=O)cc(OC(=O)c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H10Cl2N2O3/c1-9-4-5-20-13(6-9)19-14(8-15(20)21)23-16(22)11-3-2-10(17)7-12(11)18/h2-8H,1H3
InChIKeyMZDAKWQIGLZPOW-UHFFFAOYSA-N
XLogP3.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 134105909
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
CID 134087021
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 10804213
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
CID 139593811
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10586774

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate (CID 134105910) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate is Cc1ccn2c(=O)cc(OC(=O)c3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate?
The InChIKey is MZDAKWQIGLZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c1-9-4-5-20-13(6-9)19-14(8-15(20)21)23-16(22)11-3-2-10(17)7-12(11)18/h2-8H,1H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate has a molecular weight of 349.17 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 134105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).