(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol

C16H15NO2 — CID 115826245

IUPAC(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
SMILESCc1cc(C(O)c2cccc3ncccc23)c(C)o1
InChIInChI=1S/C16H15NO2/c1-10-9-14(11(2)19-10)16(18)13-5-3-7-15-12(13)6-4-8-17-15/h3-9,16,18H,1-2H3
InChIKeyFGSJMZGUEOZZBC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.53
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol

(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol (PubChem CID 115826245) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
PubChem CID115826245
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
SMILESCc1cc(C(O)c2cccc3ncccc23)c(C)o1
InChIInChI=1S/C16H15NO2/c1-10-9-14(11(2)19-10)16(18)13-5-3-7-15-12(13)6-4-8-17-15/h3-9,16,18H,1-2H3
InChIKeyFGSJMZGUEOZZBC-UHFFFAOYSA-N
XLogP3.53
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
(1R)-1-quinolin-5-ylethanol
CID 86326294
(5-methyl-2-pyridinyl)-quinolin-5-ylmethanol
CID 81318739
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanol
CID 105118175
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
CID 158967293
CID 158967293
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
(4-methyl-1,3-thiazol-2-yl)-quinolin-5-ylmethanol
CID 113451230
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol
CID 81209921
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol (CID 115826245) is (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol is Cc1cc(C(O)c2cccc3ncccc23)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol?
The InChIKey is FGSJMZGUEOZZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-9-14(11(2)19-10)16(18)13-5-3-7-15-12(13)6-4-8-17-15/h3-9,16,18H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol?
(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol has a molecular weight of 253.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol is sourced from PubChem (CID 115826245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).