2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol

C20H19N5O2 — CID 58190524

IUPAC2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1
InChIInChI=1S/C20H19N5O2/c1-14(24-27-8-7-26)17-11-22-20-23-12-18(25(20)13-17)10-15-4-5-19-16(9-15)3-2-6-21-19/h2-6,9,11-13,26H,7-8,10H2,1H3/b24-14+
InChIKeyZBIAOZAZIWNFSE-ZVHZXABRSA-N
MW361.41 g/mol
LogP2.60
Rot. Bonds6

About 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol

2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol (PubChem CID 58190524) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
PubChem CID58190524
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1
InChIInChI=1S/C20H19N5O2/c1-14(24-27-8-7-26)17-11-22-20-23-12-18(25(20)13-17)10-15-4-5-19-16(9-15)3-2-6-21-19/h2-6,9,11-13,26H,7-8,10H2,1H3/b24-14+
InChIKeyZBIAOZAZIWNFSE-ZVHZXABRSA-N
XLogP2.60
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol 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-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea
CID 172960990
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
6-[(6-bromo-7-chloroimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 141330387
(Z)-N-[(4-methoxyphenyl)methoxy]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652025
2-[1-[6-[[amino-[3-amino-6-[N-(2-hydroxyethoxy)-C-methylcarbonimidoyl]pyrazin-2-yl]amino]methyl]quinolin-3-yl]ethylideneamino]oxyethanol
CID 123609191
(Z)-N-methoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
CID 86652039
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
methyl 2-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate
CID 76720043
3-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropane-1,2-diol
CID 76720074
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 75596564

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol (CID 58190524) is 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol is C/C(=N\OCCO)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.
What is the InChIKey of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol?
The InChIKey is ZBIAOZAZIWNFSE-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(24-27-8-7-26)17-11-22-20-23-12-18(25(20)13-17)10-15-4-5-19-16(9-15)3-2-6-21-19/h2-6,9,11-13,26H,7-8,10H2,1H3/b24-14+.
What are the key properties of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol?
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 361.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 58190524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).