[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol

C16H20N2O2 — CID 103340021

IUPAC[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
SMILESC=CCN(CCOC)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16-11-13(12-19)14-6-4-5-7-15(14)17-16/h3-7,11,19H,1,8-10,12H2,2H3
InChIKeyAMAXGFVXPGZDNU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds7

About [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol

[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol (PubChem CID 103340021) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
PubChem CID103340021
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
SMILESC=CCN(CCOC)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16-11-13(12-19)14-6-4-5-7-15(14)17-16/h3-7,11,19H,1,8-10,12H2,2H3
InChIKeyAMAXGFVXPGZDNU-UHFFFAOYSA-N
XLogP2.37
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
[2-[ethyl(2-methylpropyl)amino]quinolin-4-yl]methanol
CID 61256243
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol
CID 63445930
2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile
CID 63884258
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-6-propylpyridin-2-amine
CID 103340202
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
CID 54995160

Frequently Asked Questions

What is the IUPAC name of [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol (CID 103340021) is [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol is C=CCN(CCOC)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol?
The InChIKey is AMAXGFVXPGZDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18(9-10-20-2)16-11-13(12-19)14-6-4-5-7-15(14)17-16/h3-7,11,19H,1,8-10,12H2,2H3.
What are the key properties of [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol?
[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 103340021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).