(3-bromothiophen-2-yl)-quinolin-7-ylmethanol

C14H10BrNOS — CID 113298220

IUPAC(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1sccc1Br
InChIInChI=1S/C14H10BrNOS/c15-11-5-7-18-14(11)13(17)10-4-3-9-2-1-6-16-12(9)8-10/h1-8,13,17H
InChIKeyWKLUIQNQHCJFTA-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.14
Rot. Bonds2

About (3-bromothiophen-2-yl)-quinolin-7-ylmethanol

(3-bromothiophen-2-yl)-quinolin-7-ylmethanol (PubChem CID 113298220) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
PubChem CID113298220
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1sccc1Br
InChIInChI=1S/C14H10BrNOS/c15-11-5-7-18-14(11)13(17)10-4-3-9-2-1-6-16-12(9)8-10/h1-8,13,17H
InChIKeyWKLUIQNQHCJFTA-UHFFFAOYSA-N
XLogP4.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
CID 115827006
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
quinolin-7-yl(1,3-thiazol-4-yl)methanol
CID 81220836
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502982
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
CID 106695750
furan-2-yl(quinolin-7-yl)methanol
CID 81216478
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-quinolin-7-ylmethanol?
The IUPAC name of (3-bromothiophen-2-yl)-quinolin-7-ylmethanol (CID 113298220) is (3-bromothiophen-2-yl)-quinolin-7-ylmethanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-quinolin-7-ylmethanol?
The canonical SMILES for (3-bromothiophen-2-yl)-quinolin-7-ylmethanol is OC(c1ccc2cccnc2c1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-quinolin-7-ylmethanol?
The InChIKey is WKLUIQNQHCJFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-11-5-7-18-14(11)13(17)10-4-3-9-2-1-6-16-12(9)8-10/h1-8,13,17H.
What are the key properties of (3-bromothiophen-2-yl)-quinolin-7-ylmethanol?
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol has a molecular weight of 320.21 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-quinolin-7-ylmethanol is sourced from PubChem (CID 113298220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).