2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol

C13H17N3O2 — CID 62499591

IUPAC2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
SMILESNc1c(NCCOCCO)ccc2ncccc12
InChIInChI=1S/C13H17N3O2/c14-13-10-2-1-5-15-11(10)3-4-12(13)16-6-8-18-9-7-17/h1-5,16-17H,6-9,14H2
InChIKeyRNGAJUSSSBCKIW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol

2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol (PubChem CID 62499591) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
PubChem CID62499591
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
SMILESNc1c(NCCOCCO)ccc2ncccc12
InChIInChI=1S/C13H17N3O2/c14-13-10-2-1-5-15-11(10)3-4-12(13)16-6-8-18-9-7-17/h1-5,16-17H,6-9,14H2
InChIKeyRNGAJUSSSBCKIW-UHFFFAOYSA-N
XLogP1.24
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol (CID 62499591) is 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol is Nc1c(NCCOCCO)ccc2ncccc12.
What is the InChIKey of 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol?
The InChIKey is RNGAJUSSSBCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13-10-2-1-5-15-11(10)3-4-12(13)16-6-8-18-9-7-17/h1-5,16-17H,6-9,14H2.
What are the key properties of 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol?
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 62499591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).