2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol

C13H16N2O3 — CID 159856965

IUPAC2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
SMILESCOc1cc2nccc(NCCO)c2cc1OC
InChIInChI=1S/C13H16N2O3/c1-17-12-7-9-10(15-5-6-16)3-4-14-11(9)8-13(12)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyVMFAEIKZFYWZSV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.66
Rot. Bonds5

About 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol

2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol (PubChem CID 159856965) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
PubChem CID159856965
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
SMILESCOc1cc2nccc(NCCO)c2cc1OC
InChIInChI=1S/C13H16N2O3/c1-17-12-7-9-10(15-5-6-16)3-4-14-11(9)8-13(12)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyVMFAEIKZFYWZSV-UHFFFAOYSA-N
XLogP1.66
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
CID 167836399
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol (CID 159856965) is 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol is COc1cc2nccc(NCCO)c2cc1OC.
What is the InChIKey of 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol?
The InChIKey is VMFAEIKZFYWZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12-7-9-10(15-5-6-16)3-4-14-11(9)8-13(12)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol?
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol has a molecular weight of 248.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 159856965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).