2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol

C14H14N4O2 — CID 171536473

IUPAC2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol
SMILESNc1ccc2nc(-n3ccnc3)cc(OCCO)c2c1
InChIInChI=1S/C14H14N4O2/c15-10-1-2-12-11(7-10)13(20-6-5-19)8-14(17-12)18-4-3-16-9-18/h1-4,7-9,19H,5-6,15H2
InChIKeyPUGSRZJHHYUCFZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.37
Rot. Bonds4

About 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol

2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol (PubChem CID 171536473) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol
PubChem CID171536473
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol
SMILESNc1ccc2nc(-n3ccnc3)cc(OCCO)c2c1
InChIInChI=1S/C14H14N4O2/c15-10-1-2-12-11(7-10)13(20-6-5-19)8-14(17-12)18-4-3-16-9-18/h1-4,7-9,19H,5-6,15H2
InChIKeyPUGSRZJHHYUCFZ-UHFFFAOYSA-N
XLogP1.37
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine
CID 69190327
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid
CID 162750219
3,4-di(imidazol-1-yl)aniline
CID 129289428
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
CID 50877449
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol
CID 151921849
4-hydrazinyl-6-imidazol-1-ylpyrimidin-2-amine
CID 80900802
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
N-[(2-imidazol-1-ylquinolin-4-yl)methyl]propan-1-amine
CID 62293978

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol?
The IUPAC name of 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol (CID 171536473) is 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol.
What is the SMILES notation for 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol?
The canonical SMILES for 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol is Nc1ccc2nc(-n3ccnc3)cc(OCCO)c2c1.
What is the InChIKey of 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol?
The InChIKey is PUGSRZJHHYUCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-10-1-2-12-11(7-10)13(20-6-5-19)8-14(17-12)18-4-3-16-9-18/h1-4,7-9,19H,5-6,15H2.
What are the key properties of 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol?
2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol has a molecular weight of 270.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol is sourced from PubChem (CID 171536473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).