2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol

C22H22N2O2 — CID 14675604

IUPAC2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
SMILESC#CCN(C)CC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-3-13-24(2)15-22(25)18-8-6-9-20(14-18)26-16-19-12-11-17-7-4-5-10-21(17)23-19/h1,4-12,14,22,25H,13,15-16H2,2H3
InChIKeyGYKOCARBZNTGAO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.41
Rot. Bonds7

About 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol

2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol (PubChem CID 14675604) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
PubChem CID14675604
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
SMILESC#CCN(C)CC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-3-13-24(2)15-22(25)18-8-6-9-20(14-18)26-16-19-12-11-17-7-4-5-10-21(17)23-19/h1,4-12,14,22,25H,13,15-16H2,2H3
InChIKeyGYKOCARBZNTGAO-UHFFFAOYSA-N
XLogP3.41
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
CID 14675600
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540
6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349139
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
1-[3-(quinolin-2-ylmethoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]hexan-1-ol
CID 21280483
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
CID 14548115
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol (CID 14675604) is 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol is C#CCN(C)CC(O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol?
The InChIKey is GYKOCARBZNTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-13-24(2)15-22(25)18-8-6-9-20(14-18)26-16-19-12-11-17-7-4-5-10-21(17)23-19/h1,4-12,14,22,25H,13,15-16H2,2H3.
What are the key properties of 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol?
2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol has a molecular weight of 346.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 14675604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).