7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid

C23H22N4O7 — CID 71029082

IUPAC7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC1COCCN1C2=CN3C(=NC(=C(C3=O)OCC4=CC=CC=C4)C(=O)O)C(=C2)N5CCOC5=O
InChIInChI=1S/C23H22N4O7/c28-21-19(34-14-15-4-2-1-3-5-15)18(22(29)30)24-20-17(26-8-11-33-23(26)31)12-16(13-27(20)21)25-6-9-32-10-7-25/h1-5,12-13H,6-11,14H2,(H,29,30)
InChIKeyADWVQMBRRHUZCC-UHFFFAOYSA-N
MW466.40 g/mol
LogP0.70
Rot. Bonds6

About 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid

7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 71029082) has the molecular formula C23H22N4O7 and a molecular weight of 466.40 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID71029082
Molecular FormulaC23H22N4O7
Molecular Weight466.40 g/mol
Exact Mass466.15
IUPAC Name7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC1COCCN1C2=CN3C(=NC(=C(C3=O)OCC4=CC=CC=C4)C(=O)O)C(=C2)N5CCOC5=O
InChIInChI=1S/C23H22N4O7/c28-21-19(34-14-15-4-2-1-3-5-15)18(22(29)30)24-20-17(26-8-11-33-23(26)31)12-16(13-27(20)21)25-6-9-32-10-7-25/h1-5,12-13H,6-11,14H2,(H,29,30)
InChIKeyADWVQMBRRHUZCC-UHFFFAOYSA-N
XLogP0.70
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity1000

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 71029082) is 7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid is C1COCCN1C2=CN3C(=NC(=C(C3=O)OCC4=CC=CC=C4)C(=O)O)C(=C2)N5CCOC5=O.
What is the InChIKey of 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is ADWVQMBRRHUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O7/c28-21-19(34-14-15-4-2-1-3-5-15)18(22(29)30)24-20-17(26-8-11-33-23(26)31)12-16(13-27(20)21)25-6-9-32-10-7-25/h1-5,12-13H,6-11,14H2,(H,29,30).
What are the key properties of 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 466.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 71029082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).