[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium

C11H13N2O+ — CID 7016270

IUPAC[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
SMILES[NH3+]C[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C11H12N2O/c12-7-11(14)9-3-4-10-8(6-9)2-1-5-13-10/h1-6,11,14H,7,12H2/p+1/t11-/m1/s1
InChIKeyUCKHFLRDWOPHHM-LLVKDONJSA-O
MW189.24 g/mol
LogP0.51
Rot. Bonds2

About [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium

[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium (PubChem CID 7016270) has the molecular formula C11H13N2O+ and a molecular weight of 189.24 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
PubChem CID7016270
Molecular FormulaC11H13N2O+
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
SMILES[NH3+]C[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C11H12N2O/c12-7-11(14)9-3-4-10-8(6-9)2-1-5-13-10/h1-6,11,14H,7,12H2/p+1/t11-/m1/s1
InChIKeyUCKHFLRDWOPHHM-LLVKDONJSA-O
XLogP0.51
TPSA60.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
1-quinolin-6-ylbutane-1,2-diol
CID 103454747

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium?
The IUPAC name of [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium (CID 7016270) is [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium.
What is the SMILES notation for [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium?
The canonical SMILES for [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium is [NH3+]C[C@@H](O)c1ccc2ncccc2c1.
What is the InChIKey of [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium?
The InChIKey is UCKHFLRDWOPHHM-LLVKDONJSA-O. The full InChI is InChI=1S/C11H12N2O/c12-7-11(14)9-3-4-10-8(6-9)2-1-5-13-10/h1-6,11,14H,7,12H2/p+1/t11-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium?
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium has a molecular weight of 189.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium is sourced from PubChem (CID 7016270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).