2-[(5-aminoquinolin-8-yl)amino]ethanol

C11H13N3O — CID 43450143

IUPAC2-[(5-aminoquinolin-8-yl)amino]ethanol
SMILESNc1ccc(NCCO)c2ncccc12
InChIInChI=1S/C11H13N3O/c12-9-3-4-10(13-6-7-15)11-8(9)2-1-5-14-11/h1-5,13,15H,6-7,12H2
InChIKeyYDKKPEXKTLPYLR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.22
Rot. Bonds3

About 2-[(5-aminoquinolin-8-yl)amino]ethanol

2-[(5-aminoquinolin-8-yl)amino]ethanol (PubChem CID 43450143) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-8-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-aminoquinolin-8-yl)amino]ethanol
PubChem CID43450143
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-[(5-aminoquinolin-8-yl)amino]ethanol
SMILESNc1ccc(NCCO)c2ncccc12
InChIInChI=1S/C11H13N3O/c12-9-3-4-10(13-6-7-15)11-8(9)2-1-5-14-11/h1-5,13,15H,6-7,12H2
InChIKeyYDKKPEXKTLPYLR-UHFFFAOYSA-N
XLogP1.22
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
5-(2-hydroxyethylamino)quinoline-8-carbonitrile
CID 14501167
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]ethanol?
The IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]ethanol (CID 43450143) is 2-[(5-aminoquinolin-8-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-aminoquinolin-8-yl)amino]ethanol?
The canonical SMILES for 2-[(5-aminoquinolin-8-yl)amino]ethanol is Nc1ccc(NCCO)c2ncccc12.
What is the InChIKey of 2-[(5-aminoquinolin-8-yl)amino]ethanol?
The InChIKey is YDKKPEXKTLPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-9-3-4-10(13-6-7-15)11-8(9)2-1-5-14-11/h1-5,13,15H,6-7,12H2.
What are the key properties of 2-[(5-aminoquinolin-8-yl)amino]ethanol?
2-[(5-aminoquinolin-8-yl)amino]ethanol has a molecular weight of 203.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-8-yl)amino]ethanol is sourced from PubChem (CID 43450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).