(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol

C15H13NO2S — CID 115826281

IUPAC(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
SMILESCOc1csc(C(O)c2cccc3ncccc23)c1
InChIInChI=1S/C15H13NO2S/c1-18-10-8-14(19-9-10)15(17)12-4-2-6-13-11(12)5-3-7-16-13/h2-9,15,17H,1H3
InChIKeySXEDDGGEWQKYBS-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.39
Rot. Bonds3

About (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol

(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol (PubChem CID 115826281) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
PubChem CID115826281
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
SMILESCOc1csc(C(O)c2cccc3ncccc23)c1
InChIInChI=1S/C15H13NO2S/c1-18-10-8-14(19-9-10)15(17)12-4-2-6-13-11(12)5-3-7-16-13/h2-9,15,17H,1H3
InChIKeySXEDDGGEWQKYBS-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
CID 114939531
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
quinolin-5-yl(1,3-thiazol-5-yl)methanol
CID 81220526
(4-methyl-1,3-thiazol-2-yl)-quinolin-5-ylmethanol
CID 113451230
(1R)-1-quinolin-5-ylethanol
CID 86326294
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol?
The IUPAC name of (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol (CID 115826281) is (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol.
What is the SMILES notation for (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol?
The canonical SMILES for (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol is COc1csc(C(O)c2cccc3ncccc23)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol?
The InChIKey is SXEDDGGEWQKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-18-10-8-14(19-9-10)15(17)12-4-2-6-13-11(12)5-3-7-16-13/h2-9,15,17H,1H3.
What are the key properties of (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol?
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol has a molecular weight of 271.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-quinolin-5-ylmethanol is sourced from PubChem (CID 115826281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).