(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol

C15H12BrNOS — CID 115826296

IUPAC(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
SMILESCc1cc(C(O)c2cccc3ncccc23)sc1Br
InChIInChI=1S/C15H12BrNOS/c1-9-8-13(19-15(9)16)14(18)11-4-2-6-12-10(11)5-3-7-17-12/h2-8,14,18H,1H3
InChIKeyAHQIHYHSLBEMQD-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.45
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol

(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol (PubChem CID 115826296) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
PubChem CID115826296
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
SMILESCc1cc(C(O)c2cccc3ncccc23)sc1Br
InChIInChI=1S/C15H12BrNOS/c1-9-8-13(19-15(9)16)14(18)11-4-2-6-12-10(11)5-3-7-17-12/h2-8,14,18H,1H3
InChIKeyAHQIHYHSLBEMQD-UHFFFAOYSA-N
XLogP4.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
[(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326977
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135
(1R)-1-quinolin-5-ylethanol
CID 86326294
(5-methyl-2-pyridinyl)-quinolin-5-ylmethanol
CID 81318739
(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
CID 115826245
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
quinolin-5-yl(1,3-thiazol-5-yl)methanol
CID 81220526

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol (CID 115826296) is (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol is Cc1cc(C(O)c2cccc3ncccc23)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol?
The InChIKey is AHQIHYHSLBEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c1-9-8-13(19-15(9)16)14(18)11-4-2-6-12-10(11)5-3-7-17-12/h2-8,14,18H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol?
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol has a molecular weight of 334.24 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol is sourced from PubChem (CID 115826296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).