1-benzothiophen-3-yl(quinolin-5-yl)methanol

C18H13NOS — CID 78917707

IUPAC1-benzothiophen-3-yl(quinolin-5-yl)methanol
SMILESOC(c1cccc2ncccc12)c1csc2ccccc12
InChIInChI=1S/C18H13NOS/c20-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-19-16/h1-11,18,20H
InChIKeyKPDYMLIYAUACRE-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.53
Rot. Bonds2

About 1-benzothiophen-3-yl(quinolin-5-yl)methanol

1-benzothiophen-3-yl(quinolin-5-yl)methanol (PubChem CID 78917707) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(quinolin-5-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(quinolin-5-yl)methanol
PubChem CID78917707
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name1-benzothiophen-3-yl(quinolin-5-yl)methanol
SMILESOC(c1cccc2ncccc12)c1csc2ccccc12
InChIInChI=1S/C18H13NOS/c20-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-19-16/h1-11,18,20H
InChIKeyKPDYMLIYAUACRE-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
quinolin-5-yl(1,3-thiazol-5-yl)methanol
CID 81220526
(4-methyl-1,3-thiazol-2-yl)-quinolin-5-ylmethanol
CID 113451230
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(1R)-1-quinolin-5-ylethanol
CID 86326294
1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
CID 106644382
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
1-benzothiophen-7-yl(quinolin-4-yl)methanol
CID 81132794
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(quinolin-5-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(quinolin-5-yl)methanol (CID 78917707) is 1-benzothiophen-3-yl(quinolin-5-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(quinolin-5-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(quinolin-5-yl)methanol is OC(c1cccc2ncccc12)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(quinolin-5-yl)methanol?
The InChIKey is KPDYMLIYAUACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c20-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-19-16/h1-11,18,20H.
What are the key properties of 1-benzothiophen-3-yl(quinolin-5-yl)methanol?
1-benzothiophen-3-yl(quinolin-5-yl)methanol has a molecular weight of 291.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(quinolin-5-yl)methanol is sourced from PubChem (CID 78917707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).