methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C14H15N3O5 — CID 58101070

IUPACmethyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O
InChIInChI=1S/C14H15N3O5/c1-21-14(20)10-11(18)13(19)17-4-2-3-9(12(17)15-10)16-5-7-22-8-6-16/h2-4,18H,5-8H2,1H3
InChIKeyCDQTVXGDNFZOIR-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.02
Rot. Bonds2

About methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101070) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101070
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Namemethyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O
InChIInChI=1S/C14H15N3O5/c1-21-14(20)10-11(18)13(19)17-4-2-3-9(12(17)15-10)16-5-7-22-8-6-16/h2-4,18H,5-8H2,1H3
InChIKeyCDQTVXGDNFZOIR-UHFFFAOYSA-N
XLogP0.02
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[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-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101070) is methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O.
What is the InChIKey of methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is CDQTVXGDNFZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-21-14(20)10-11(18)13(19)17-4-2-3-9(12(17)15-10)16-5-7-22-8-6-16/h2-4,18H,5-8H2,1H3.
What are the key properties of methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).