1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol

C16H19NO2 — CID 115812514

IUPAC1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
SMILESCC1CCOC1C(O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,15-16,18H,7,9-10H2,1H3
InChIKeyANGAKMCMIXSXFT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol

1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol (PubChem CID 115812514) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
PubChem CID115812514
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
SMILESCC1CCOC1C(O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,15-16,18H,7,9-10H2,1H3
InChIKeyANGAKMCMIXSXFT-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979595
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
2-(2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115778550
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
CID 104997415
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 92534411
4-(2-ethylbutyl)quinoline
CID 143495355

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol (CID 115812514) is 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol is CC1CCOC1C(O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol?
The InChIKey is ANGAKMCMIXSXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,15-16,18H,7,9-10H2,1H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol?
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol has a molecular weight of 257.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 115812514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).