3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C18H21N5O6 — CID 123708014

IUPAC3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)O)nc23)C(=O)C1
InChIInChI=1S/C18H21N5O6/c1-20-2-3-22(13(24)10-20)12-8-11(21-4-6-29-7-5-21)9-23-16(12)19-14(18(27)28)15(25)17(23)26/h8-9,25H,2-7,10H2,1H3,(H,27,28)
InChIKeyXFFZALDGQIEHRB-UHFFFAOYSA-N
MW403.40 g/mol
LogP-0.79
Rot. Bonds3

About 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 123708014) has the molecular formula C18H21N5O6 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID123708014
Molecular FormulaC18H21N5O6
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)O)nc23)C(=O)C1
InChIInChI=1S/C18H21N5O6/c1-20-2-3-22(13(24)10-20)12-8-11(21-4-6-29-7-5-21)9-23-16(12)19-14(18(27)28)15(25)17(23)26/h8-9,25H,2-7,10H2,1H3,(H,27,28)
InChIKeyXFFZALDGQIEHRB-UHFFFAOYSA-N
XLogP-0.79
TPSA127.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 123708014) is 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)O)nc23)C(=O)C1.
What is the InChIKey of 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is XFFZALDGQIEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6/c1-20-2-3-22(13(24)10-20)12-8-11(21-4-6-29-7-5-21)9-23-16(12)19-14(18(27)28)15(25)17(23)26/h8-9,25H,2-7,10H2,1H3,(H,27,28).
What are the key properties of 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 403.40 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-(4-methyl-2-oxopiperazin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 123708014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).