5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine

C22H17N11OS — CID 148548203

IUPAC5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
SMILESc1cnc(Nc2nc3cccc(Nc4ncc[nH]4)c3c(Nc3ncco3)c2Nc2nccs2)nc1
InChIInChI=1S/C22H17N11OS/c1-3-13-15(14(4-1)30-19-25-7-8-26-19)16(31-21-27-9-11-34-21)17(32-22-28-10-12-35-22)18(29-13)33-20-23-5-2-6-24-20/h1-12H,(H,28,32)(H2,25,26,30)(H2,23,24,27,29,31,33)
InChIKeyZVDWCTTXASJPJP-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.17
Rot. Bonds8

About 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine

5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine (PubChem CID 148548203) has the molecular formula C22H17N11OS and a molecular weight of 483.52 g/mol. Its IUPAC name is 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine.

Molecular Properties

Compound Name5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
PubChem CID148548203
Molecular FormulaC22H17N11OS
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC Name5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
SMILESc1cnc(Nc2nc3cccc(Nc4ncc[nH]4)c3c(Nc3ncco3)c2Nc2nccs2)nc1
InChIInChI=1S/C22H17N11OS/c1-3-13-15(14(4-1)30-19-25-7-8-26-19)16(31-21-27-9-11-34-21)17(32-22-28-10-12-35-22)18(29-13)33-20-23-5-2-6-24-20/h1-12H,(H,28,32)(H2,25,26,30)(H2,23,24,27,29,31,33)
InChIKeyZVDWCTTXASJPJP-UHFFFAOYSA-N
XLogP5.17
TPSA154.39 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500483.52
LogP ≤ 55.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-1-(7H-purin-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,5-thiadiazol-1-yl]-1,3-oxazole
CID 141080147
2-[2-Pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
CID 141180705
4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine
CID 149252158
benzene;ethane;2H-imidazo[1,2-a]pyridin-4-ium;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 157210642
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
ethane;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;1-methylisoquinoline;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine
CID 157461701
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole
CID 158202272
2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
CID 158455411
1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
CID 158682412
2-tert-butylpyridine;2-tert-butylpyrimidine;ethane;methane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole
CID 160167349
ethane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160294709

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine?
The IUPAC name of 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine (CID 148548203) is 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine.
What is the SMILES notation for 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine?
The canonical SMILES for 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine is c1cnc(Nc2nc3cccc(Nc4ncc[nH]4)c3c(Nc3ncco3)c2Nc2nccs2)nc1.
What is the InChIKey of 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine?
The InChIKey is ZVDWCTTXASJPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N11OS/c1-3-13-15(14(4-1)30-19-25-7-8-26-19)16(31-21-27-9-11-34-21)17(32-22-28-10-12-35-22)18(29-13)33-20-23-5-2-6-24-20/h1-12H,(H,28,32)(H2,25,26,30)(H2,23,24,27,29,31,33).
What are the key properties of 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine?
5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine has a molecular weight of 483.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine is sourced from PubChem (CID 148548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).