[4-(oxetan-3-yloxy)quinolin-2-yl]methanol

C13H13NO3 — CID 102607123

IUPAC[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
SMILESOCc1cc(OC2COC2)c2ccccc2n1
InChIInChI=1S/C13H13NO3/c15-6-9-5-13(17-10-7-16-8-10)11-3-1-2-4-12(11)14-9/h1-5,10,15H,6-8H2
InChIKeyBNFJHIJNUJDGGF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.50
Rot. Bonds3

About [4-(oxetan-3-yloxy)quinolin-2-yl]methanol

[4-(oxetan-3-yloxy)quinolin-2-yl]methanol (PubChem CID 102607123) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is [4-(oxetan-3-yloxy)quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
PubChem CID102607123
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
SMILESOCc1cc(OC2COC2)c2ccccc2n1
InChIInChI=1S/C13H13NO3/c15-6-9-5-13(17-10-7-16-8-10)11-3-1-2-4-12(11)14-9/h1-5,10,15H,6-8H2
InChIKeyBNFJHIJNUJDGGF-UHFFFAOYSA-N
XLogP1.50
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenoxy)quinolin-2-yl]methanol
CID 63375932
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
4-(oxan-4-yloxy)quinoline-2-carboxylic acid
CID 63374463
N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
CID 63377355
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanol
CID 63376065
[4-(furan-2-ylmethoxy)quinolin-2-yl]methanol
CID 55184161
[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]methanol
CID 63376244
2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
CID 114341778
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019
[4-(2,3-difluorophenoxy)quinolin-2-yl]methanol
CID 63375849
[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol
CID 107660035

Frequently Asked Questions

What is the IUPAC name of [4-(oxetan-3-yloxy)quinolin-2-yl]methanol?
The IUPAC name of [4-(oxetan-3-yloxy)quinolin-2-yl]methanol (CID 102607123) is [4-(oxetan-3-yloxy)quinolin-2-yl]methanol.
What is the SMILES notation for [4-(oxetan-3-yloxy)quinolin-2-yl]methanol?
The canonical SMILES for [4-(oxetan-3-yloxy)quinolin-2-yl]methanol is OCc1cc(OC2COC2)c2ccccc2n1.
What is the InChIKey of [4-(oxetan-3-yloxy)quinolin-2-yl]methanol?
The InChIKey is BNFJHIJNUJDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-6-9-5-13(17-10-7-16-8-10)11-3-1-2-4-12(11)14-9/h1-5,10,15H,6-8H2.
What are the key properties of [4-(oxetan-3-yloxy)quinolin-2-yl]methanol?
[4-(oxetan-3-yloxy)quinolin-2-yl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxetan-3-yloxy)quinolin-2-yl]methanol is sourced from PubChem (CID 102607123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).