1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol

C17H17NOS — CID 105079373

IUPAC1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
SMILESOC(CCCc1cccs1)c1cnc2ccccc2c1
InChIInChI=1S/C17H17NOS/c19-17(9-3-6-15-7-4-10-20-15)14-11-13-5-1-2-8-16(13)18-12-14/h1-2,4-5,7-8,10-12,17,19H,3,6,9H2
InChIKeyAQBZRYDQFNWOSY-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.35
Rot. Bonds5

About 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol

1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol (PubChem CID 105079373) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
PubChem CID105079373
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
SMILESOC(CCCc1cccs1)c1cnc2ccccc2c1
InChIInChI=1S/C17H17NOS/c19-17(9-3-6-15-7-4-10-20-15)14-11-13-5-1-2-8-16(13)18-12-14/h1-2,4-5,7-8,10-12,17,19H,3,6,9H2
InChIKeyAQBZRYDQFNWOSY-UHFFFAOYSA-N
XLogP4.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-3-ylbutan-1-ol
CID 60924193
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
fluoro(quinolin-3-yl)methanol
CID 163892772
1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 66460663
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol (CID 105079373) is 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol is OC(CCCc1cccs1)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol?
The InChIKey is AQBZRYDQFNWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(9-3-6-15-7-4-10-20-15)14-11-13-5-1-2-8-16(13)18-12-14/h1-2,4-5,7-8,10-12,17,19H,3,6,9H2.
What are the key properties of 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol?
1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol has a molecular weight of 283.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 105079373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).