formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione

C23H24N6O7S — CID 90216296

About formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione

formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione (PubChem CID 90216296) has the molecular formula C23H24N6O7S and a molecular weight of 528.55 g/mol. Its IUPAC name is formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
• PubChem CID: 90216296
• Molecular Formula: C23H24N6O7S
• Molecular Weight: 528.55 g/mol
• Exact Mass: 528.14
• IUPAC Name: formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
• SMILES: Cn1c(=O)n(CCNC[C@@H]2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)c(=O)c2ccccc21.O=CO
• InChI: InChI=1S/C22H22N6O5S.CH2O2/c1-26-15-5-3-2-4-14(15)20(30)27(21(26)31)9-8-23-10-13-11-28(22(32)33-13)17-7-6-16-19(24-17)25-18(29)12-34-16;2-1-3/h2-7,13,23H,8-12H2,1H3,(H,24,25,29);1H,(H,2,3)/t13-;/m1./s1
• InChIKey: ZURAKWVCDZEICY-BTQNPOSSSA-N
• XLogP: 0.46
• TPSA: 164.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.55
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione?

The IUPAC name of formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione (CID 90216296) is formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione.

What is the SMILES notation for formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione?

The canonical SMILES for formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione is Cn1c(=O)n(CCNC[C@@H]2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)c(=O)c2ccccc21.O=CO.

What is the InChIKey of formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione?

The InChIKey is ZURAKWVCDZEICY-BTQNPOSSSA-N. The full InChI is InChI=1S/C22H22N6O5S.CH2O2/c1-26-15-5-3-2-4-14(15)20(30)27(21(26)31)9-8-23-10-13-11-28(22(32)33-13)17-7-6-16-19(24-17)25-18(29)12-34-16;2-1-3/h2-7,13,23H,8-12H2,1H3,(H,24,25,29);1H,(H,2,3)/t13-;/m1./s1.

What are the key properties of formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione?

formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione has a molecular weight of 528.55 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 90216296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).