(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol

C16H15NOS — CID 115826735

IUPAC(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
SMILESCc1cc(C(O)c2ccc3ncccc3c2)sc1C
InChIInChI=1S/C16H15NOS/c1-10-8-15(19-11(10)2)16(18)13-5-6-14-12(9-13)4-3-7-17-14/h3-9,16,18H,1-2H3
InChIKeyKTUGSFZBZBMJIN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.99
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol

(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol (PubChem CID 115826735) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
PubChem CID115826735
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
SMILESCc1cc(C(O)c2ccc3ncccc3c2)sc1C
InChIInChI=1S/C16H15NOS/c1-10-8-15(19-11(10)2)16(18)13-5-6-14-12(9-13)4-3-7-17-14/h3-9,16,18H,1-2H3
InChIKeyKTUGSFZBZBMJIN-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol (CID 115826735) is (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol is Cc1cc(C(O)c2ccc3ncccc3c2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol?
The InChIKey is KTUGSFZBZBMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10-8-15(19-11(10)2)16(18)13-5-6-14-12(9-13)4-3-7-17-14/h3-9,16,18H,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol?
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol has a molecular weight of 269.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol is sourced from PubChem (CID 115826735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).