2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride

C17H17ClN2O — CID 18432992

IUPAC2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2O.ClH/c20-11-10-18-17-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)17;/h1-9,12,20H,10-11H2,(H,18,19);1H
InChIKeyAKPFVQVQPBWFEP-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.73
Rot. Bonds4

About 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride

2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride (PubChem CID 18432992) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
PubChem CID18432992
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2O.ClH/c20-11-10-18-17-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)17;/h1-9,12,20H,10-11H2,(H,18,19);1H
InChIKeyAKPFVQVQPBWFEP-UHFFFAOYSA-N
XLogP3.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tacrine
CID 1935
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
9-Aminoacridine hydrochloride
CID 8643
1-Acridinamine
CID 11352
1,2,3,4-Tetrahydro-9-acridinamine hydrochloride hydrate (1:?:?)
CID 6420002
9-Aminoacridine hydrochloride monohydrate
CID 2723598
Bis(7)-tacrine
CID 9549196
N-Methyl-9-acridinamine
CID 31503
9-Acridinamine, N-(phenylmethyl)-
CID 149800
2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
Quindecamine
CID 21943

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride (CID 18432992) is 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride is Cl.OCCNc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride?
The InChIKey is AKPFVQVQPBWFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.ClH/c20-11-10-18-17-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)17;/h1-9,12,20H,10-11H2,(H,18,19);1H.
What are the key properties of 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride?
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 18432992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).