(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol

C15H12ClNOS — CID 81216435

IUPAC(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cc(Cl)cs3)ccc2n1
InChIInChI=1S/C15H12ClNOS/c1-9-2-3-10-6-11(4-5-13(10)17-9)15(18)14-7-12(16)8-19-14/h2-8,15,18H,1H3
InChIKeyLVODUDJZFFUFBK-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.34
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol

(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol (PubChem CID 81216435) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
PubChem CID81216435
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cc(Cl)cs3)ccc2n1
InChIInChI=1S/C15H12ClNOS/c1-9-2-3-10-6-11(4-5-13(10)17-9)15(18)14-7-12(16)8-19-14/h2-8,15,18H,1H3
InChIKeyLVODUDJZFFUFBK-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol
CID 105379207
(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methanol
CID 81220837
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
(2-fluoro-4-methylphenyl)-(2-methylquinolin-6-yl)methanol
CID 115826569
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol
CID 79427209
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol (CID 81216435) is (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol is Cc1ccc2cc(C(O)c3cc(Cl)cs3)ccc2n1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is LVODUDJZFFUFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-9-2-3-10-6-11(4-5-13(10)17-9)15(18)14-7-12(16)8-19-14/h2-8,15,18H,1H3.
What are the key properties of (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol?
(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 289.79 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 81216435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).