1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol

C17H17NOS — CID 105379193

IUPAC1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1ccc2cc(C(O)CCc3ccsc3)ccc2n1
InChIInChI=1S/C17H17NOS/c1-12-2-4-14-10-15(5-6-16(14)18-12)17(19)7-3-13-8-9-20-11-13/h2,4-6,8-11,17,19H,3,7H2,1H3
InChIKeySWDFLEDIIPVQEK-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.27
Rot. Bonds4

About 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol

1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105379193) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105379193
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1ccc2cc(C(O)CCc3ccsc3)ccc2n1
InChIInChI=1S/C17H17NOS/c1-12-2-4-14-10-15(5-6-16(14)18-12)17(19)7-3-13-8-9-20-11-13/h2,4-6,8-11,17,19H,3,7H2,1H3
InChIKeySWDFLEDIIPVQEK-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
CID 105172214
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
1-(2-methylquinolin-6-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105379140
(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methanol
CID 81220837
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
CID 81210498
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol (CID 105379193) is 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol is Cc1ccc2cc(C(O)CCc3ccsc3)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is SWDFLEDIIPVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12-2-4-14-10-15(5-6-16(14)18-12)17(19)7-3-13-8-9-20-11-13/h2,4-6,8-11,17,19H,3,7H2,1H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol?
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 283.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105379193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).