formic acid;1-methyl-3-[2-[[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 90216297

IUPACformic acid;1-methyl-3-[2-[[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
SMILESCn1c(=O)n(CCNCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)c(=O)c2ccccc21.O=CO
InChIInChI=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)
InChIKeyZURAKWVCDZEICY-UHFFFAOYSA-N
MW528.55 g/mol
LogP0.46
Rot. Bonds6

About formic acid;1-methyl-3-[2-[[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-[[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 90216297) has the molecular formula C23H24N6O7S and a molecular weight of 528.55 g/mol. Its IUPAC name is formic acid;1-methyl-3-[2-[[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 Nameformic acid;1-methyl-3-[2-[[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 CID90216297
Molecular FormulaC23H24N6O7S
Molecular Weight528.55 g/mol
Exact Mass528.14
IUPAC Nameformic acid;1-methyl-3-[2-[[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
SMILESCn1c(=O)n(CCNCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)c(=O)c2ccccc21.O=CO
InChIInChI=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)
InChIKeyZURAKWVCDZEICY-UHFFFAOYSA-N
XLogP0.46
TPSA164.86 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.55
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze formic acid;1-methyl-3-[2-[[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 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 formic acid;1-methyl-3-[2-[[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-[[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 90216297) is formic acid;1-methyl-3-[2-[[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-[[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-[[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(CCNCC2CN(c3ccc4c(n3)NC(=O)CS4)C(=O)O2)c(=O)c2ccccc21.O=CO.
What is the InChIKey of formic acid;1-methyl-3-[2-[[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-UHFFFAOYSA-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).
What are the key properties of formic acid;1-methyl-3-[2-[[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-[[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-[[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 90216297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).