(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate

C20H18ClN3O4 — CID 8522920

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1ccc2nc(COC(=O)CCNC(=O)c3ccc(Cl)cc3)cc(=O)n2c1
InChIInChI=1S/C20H18ClN3O4/c1-13-2-7-17-23-16(10-18(25)24(17)11-13)12-28-19(26)8-9-22-20(27)14-3-5-15(21)6-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)
InChIKeyGDPINSUHJRQTJM-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.52
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 8522920) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID8522920
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1ccc2nc(COC(=O)CCNC(=O)c3ccc(Cl)cc3)cc(=O)n2c1
InChIInChI=1S/C20H18ClN3O4/c1-13-2-7-17-23-16(10-18(25)24(17)11-13)12-28-19(26)8-9-22-20(27)14-3-5-15(21)6-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)
InChIKeyGDPINSUHJRQTJM-UHFFFAOYSA-N
XLogP2.52
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 7542146
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)-2-hydroxyacetate
CID 166213407
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chlorobenzoate
CID 18199886
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dichlorobenzoate
CID 7679283
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(4-chlorophenoxy)propanoate
CID 8520550
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-2-fluorobenzoate
CID 8663992
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 7548236
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
CID 166191008
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7537166

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate (CID 8522920) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate is Cc1ccc2nc(COC(=O)CCNC(=O)c3ccc(Cl)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is GDPINSUHJRQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-13-2-7-17-23-16(10-18(25)24(17)11-13)12-28-19(26)8-9-22-20(27)14-3-5-15(21)6-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,22,27).
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 399.83 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 8522920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).