1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol

C18H23NO2 — CID 114754924

IUPAC1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESCc1cc(C(O)CCCC2CCCO2)nc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13-12-17(19-16-9-3-2-8-15(13)16)18(20)10-4-6-14-7-5-11-21-14/h2-3,8-9,12,14,18,20H,4-7,10-11H2,1H3
InChIKeyHLQRSNRHRFIIGA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol

1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 114754924) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID114754924
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESCc1cc(C(O)CCCC2CCCO2)nc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13-12-17(19-16-9-3-2-8-15(13)16)18(20)10-4-6-14-7-5-11-21-14/h2-3,8-9,12,14,18,20H,4-7,10-11H2,1H3
InChIKeyHLQRSNRHRFIIGA-UHFFFAOYSA-N
XLogP3.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
[4-(oxolan-2-yl)-1-quinoxalin-2-ylbutyl]hydrazine
CID 107357897
(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
CID 107136237
1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 81432637
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611
1-(4-methylquinolin-2-yl)-2-propan-2-yloxyethanol
CID 114754836
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
2-(2-fluorophenyl)-1-(4-methylquinolin-2-yl)ethanol
CID 114754909
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol (CID 114754924) is 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol is Cc1cc(C(O)CCCC2CCCO2)nc2ccccc12.
What is the InChIKey of 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is HLQRSNRHRFIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-12-17(19-16-9-3-2-8-15(13)16)18(20)10-4-6-14-7-5-11-21-14/h2-3,8-9,12,14,18,20H,4-7,10-11H2,1H3.
What are the key properties of 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol?
1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 114754924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).