(2-methylquinolin-6-yl)-(thian-2-yl)methanol

C16H19NOS — CID 81220603

IUPAC(2-methylquinolin-6-yl)-(thian-2-yl)methanol
SMILESCc1ccc2cc(C(O)C3CCCCS3)ccc2n1
InChIInChI=1S/C16H19NOS/c1-11-5-6-12-10-13(7-8-14(12)17-11)16(18)15-4-2-3-9-19-15/h5-8,10,15-16,18H,2-4,9H2,1H3
InChIKeyFJQHASRTDQDJDL-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.86
Rot. Bonds2

About (2-methylquinolin-6-yl)-(thian-2-yl)methanol

(2-methylquinolin-6-yl)-(thian-2-yl)methanol (PubChem CID 81220603) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-(thian-2-yl)methanol
PubChem CID81220603
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(2-methylquinolin-6-yl)-(thian-2-yl)methanol
SMILESCc1ccc2cc(C(O)C3CCCCS3)ccc2n1
InChIInChI=1S/C16H19NOS/c1-11-5-6-12-10-13(7-8-14(12)17-11)16(18)15-4-2-3-9-19-15/h5-8,10,15-16,18H,2-4,9H2,1H3
InChIKeyFJQHASRTDQDJDL-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
CID 81224264
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
cyclobutyl-(2-methylquinolin-6-yl)methanamine
CID 81232186
(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
(1-methylcyclopentyl)-(2-methylquinolin-6-yl)methanol
CID 115826661
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
[2-cyclopropyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105327205
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-6-yl)-(thian-2-yl)methanol?
The IUPAC name of (2-methylquinolin-6-yl)-(thian-2-yl)methanol (CID 81220603) is (2-methylquinolin-6-yl)-(thian-2-yl)methanol.
What is the SMILES notation for (2-methylquinolin-6-yl)-(thian-2-yl)methanol?
The canonical SMILES for (2-methylquinolin-6-yl)-(thian-2-yl)methanol is Cc1ccc2cc(C(O)C3CCCCS3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-(thian-2-yl)methanol?
The InChIKey is FJQHASRTDQDJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-5-6-12-10-13(7-8-14(12)17-11)16(18)15-4-2-3-9-19-15/h5-8,10,15-16,18H,2-4,9H2,1H3.
What are the key properties of (2-methylquinolin-6-yl)-(thian-2-yl)methanol?
(2-methylquinolin-6-yl)-(thian-2-yl)methanol has a molecular weight of 273.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-6-yl)-(thian-2-yl)methanol is sourced from PubChem (CID 81220603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).