methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate

C19H23N5O6 — CID 66668215

IUPACmethyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O
InChIInChI=1S/C19H23N5O6/c1-21-5-7-22(8-6-21)12-10-13(23-4-3-9-30-19(23)28)16-20-14(18(27)29-2)15(25)17(26)24(16)11-12/h10-11,25H,3-9H2,1-2H3
InChIKeyAGEAXUHYDBSZSK-UHFFFAOYSA-N
MW417.42 g/mol
LogP0.29
Rot. Bonds3

About methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 66668215) has the molecular formula C19H23N5O6 and a molecular weight of 417.42 g/mol. Its IUPAC name is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID66668215
Molecular FormulaC19H23N5O6
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC Namemethyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O
InChIInChI=1S/C19H23N5O6/c1-21-5-7-22(8-6-21)12-10-13(23-4-3-9-30-19(23)28)16-20-14(18(27)29-2)15(25)17(26)24(16)11-12/h10-11,25H,3-9H2,1-2H3
InChIKeyAGEAXUHYDBSZSK-UHFFFAOYSA-N
XLogP0.29
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate (CID 66668215) is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(N3CCCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O.
What is the InChIKey of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is AGEAXUHYDBSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O6/c1-21-5-7-22(8-6-21)12-10-13(23-4-3-9-30-19(23)28)16-20-14(18(27)29-2)15(25)17(26)24(16)11-12/h10-11,25H,3-9H2,1-2H3.
What are the key properties of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazinan-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 66668215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).