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

C18H21N5O6 — CID 66668149

IUPACmethyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O
InChIInChI=1S/C18H21N5O6/c1-20-3-5-21(6-4-20)11-9-12(22-7-8-29-18(22)27)15-19-13(17(26)28-2)14(24)16(25)23(15)10-11/h9-10,24H,3-8H2,1-2H3
InChIKeyVOZNEPFCRVZYMQ-UHFFFAOYSA-N
MW403.40 g/mol
LogP-0.10
Rot. Bonds3

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

methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 66668149) has the molecular formula C18H21N5O6 and a molecular weight of 403.40 g/mol. Its IUPAC name is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-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-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID66668149
Molecular FormulaC18H21N5O6
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Namemethyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O
InChIInChI=1S/C18H21N5O6/c1-20-3-5-21(6-4-20)11-9-12(22-7-8-29-18(22)27)15-19-13(17(26)28-2)14(24)16(25)23(15)10-11/h9-10,24H,3-8H2,1-2H3
InChIKeyVOZNEPFCRVZYMQ-UHFFFAOYSA-N
XLogP-0.10
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-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-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate (CID 66668149) is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-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-oxazolidin-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-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(N3CCOC3=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-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is VOZNEPFCRVZYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6/c1-20-3-5-21(6-4-20)11-9-12(22-7-8-29-18(22)27)15-19-13(17(26)28-2)14(24)16(25)23(15)10-11/h9-10,24H,3-8H2,1-2H3.
What are the key properties of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 403.40 g/mol, XLogP of -0.10, 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-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 66668149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).