2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol

C14H19N2O2+ — CID 11588847

IUPAC2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol
SMILESC[n+]1cccc2ccc(N(CCO)CCO)cc21
InChIInChI=1S/C14H19N2O2/c1-15-6-2-3-12-4-5-13(11-14(12)15)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10H2,1H3/q+1
InChIKeyNORQWRZGTIDIIQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.46
Rot. Bonds5

About 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol

2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol (PubChem CID 11588847) has the molecular formula C14H19N2O2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol
PubChem CID11588847
Molecular FormulaC14H19N2O2+
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol
SMILESC[n+]1cccc2ccc(N(CCO)CCO)cc21
InChIInChI=1S/C14H19N2O2/c1-15-6-2-3-12-4-5-13(11-14(12)15)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10H2,1H3/q+1
InChIKeyNORQWRZGTIDIIQ-UHFFFAOYSA-N
XLogP0.46
TPSA47.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-methylquinolin-1-ium-7-amine
CID 11551873
2-[N-(2-hydroxyethyl)-4-[(1-methylpyridin-1-ium-2-yl)diazenyl]anilino]ethanol
CID 135182893
2-[N-(2-hydroxyethyl)-4-[methyl-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]amino]anilino]ethanol
CID 76699896
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 2827046
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol (CID 11588847) is 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol is C[n+]1cccc2ccc(N(CCO)CCO)cc21.
What is the InChIKey of 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol?
The InChIKey is NORQWRZGTIDIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O2/c1-15-6-2-3-12-4-5-13(11-14(12)15)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10H2,1H3/q+1.
What are the key properties of 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol?
2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol has a molecular weight of 247.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(1-methylquinolin-1-ium-7-yl)amino]ethanol is sourced from PubChem (CID 11588847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).