[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol

C15H17NO2 — CID 114470405

IUPAC[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol
SMILESC=C(C)CCOc1cc(CO)c2ccccc2n1
InChIInChI=1S/C15H17NO2/c1-11(2)7-8-18-15-9-12(10-17)13-5-3-4-6-14(13)16-15/h3-6,9,17H,1,7-8,10H2,2H3
InChIKeyNKWNCSXJHXAXSJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.07
Rot. Bonds5

About [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol

[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol (PubChem CID 114470405) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol
PubChem CID114470405
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol
SMILESC=C(C)CCOc1cc(CO)c2ccccc2n1
InChIInChI=1S/C15H17NO2/c1-11(2)7-8-18-15-9-12(10-17)13-5-3-4-6-14(13)16-15/h3-6,9,17H,1,7-8,10H2,2H3
InChIKeyNKWNCSXJHXAXSJ-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
CID 114470472
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 114470590
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
[2-(1-methylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116793268
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681
ethane;2-ethoxy-4-methylquinoline
CID 142037221
(2-but-2-enoxyquinolin-4-yl)methanamine
CID 76938383

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol?
The IUPAC name of [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol (CID 114470405) is [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol?
The canonical SMILES for [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol is C=C(C)CCOc1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol?
The InChIKey is NKWNCSXJHXAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)7-8-18-15-9-12(10-17)13-5-3-4-6-14(13)16-15/h3-6,9,17H,1,7-8,10H2,2H3.
What are the key properties of [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol?
[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol is sourced from PubChem (CID 114470405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).