2-[3-(quinolin-2-ylamino)propoxy]ethanol

C14H18N2O2 — CID 103990474

IUPAC2-[3-(quinolin-2-ylamino)propoxy]ethanol
SMILESOCCOCCCNc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O2/c17-9-11-18-10-3-8-15-14-7-6-12-4-1-2-5-13(12)16-14/h1-2,4-7,17H,3,8-11H2,(H,15,16)
InChIKeyJXFBFVLHIIUABF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds7

About 2-[3-(quinolin-2-ylamino)propoxy]ethanol

2-[3-(quinolin-2-ylamino)propoxy]ethanol (PubChem CID 103990474) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(quinolin-2-ylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(quinolin-2-ylamino)propoxy]ethanol
PubChem CID103990474
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-(quinolin-2-ylamino)propoxy]ethanol
SMILESOCCOCCCNc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O2/c17-9-11-18-10-3-8-15-14-7-6-12-4-1-2-5-13(12)16-14/h1-2,4-7,17H,3,8-11H2,(H,15,16)
InChIKeyJXFBFVLHIIUABF-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(quinolin-2-ylamino)propan-1-ol
CID 581988
2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
2-[3-(2-hydroxyethoxy)propylamino]quinoline-3-carboxylic acid
CID 106307515
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111405947
N-(2-but-3-enoxyethyl)quinolin-2-amine
CID 103853670
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016
N-dodecylquinolin-2-amine
CID 160510159
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
2-[3-(2,1-benzothiazol-3-ylamino)propoxy]ethanol
CID 113362580
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699

Frequently Asked Questions

What is the IUPAC name of 2-[3-(quinolin-2-ylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(quinolin-2-ylamino)propoxy]ethanol (CID 103990474) is 2-[3-(quinolin-2-ylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(quinolin-2-ylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(quinolin-2-ylamino)propoxy]ethanol is OCCOCCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-[3-(quinolin-2-ylamino)propoxy]ethanol?
The InChIKey is JXFBFVLHIIUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-9-11-18-10-3-8-15-14-7-6-12-4-1-2-5-13(12)16-14/h1-2,4-7,17H,3,8-11H2,(H,15,16).
What are the key properties of 2-[3-(quinolin-2-ylamino)propoxy]ethanol?
2-[3-(quinolin-2-ylamino)propoxy]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(quinolin-2-ylamino)propoxy]ethanol is sourced from PubChem (CID 103990474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).