quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol

C17H17NO2 — CID 115826290

IUPACquinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cccc3ncccc23)c1C
InChIInChI=1S/C17H17NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-8-15-13(14)7-5-9-18-15/h4-9,17,19H,1-3H3
InChIKeyCJOCXNFNXCAXPL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.83
Rot. Bonds2

About quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol

quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115826290) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Namequinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115826290
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namequinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cccc3ncccc23)c1C
InChIInChI=1S/C17H17NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-8-15-13(14)7-5-9-18-15/h4-9,17,19H,1-3H3
InChIKeyCJOCXNFNXCAXPL-UHFFFAOYSA-N
XLogP3.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
CID 115826245
(1R)-1-quinolin-5-ylethanol
CID 86326294
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
5-(1-iodoethyl)quinoline
CID 130224458
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanol
CID 105118175
(5-methyl-2-pyridinyl)-quinolin-5-ylmethanol
CID 81318739
CID 158967293
CID 158967293
(4-methyl-1,3-thiazol-2-yl)-quinolin-5-ylmethanol
CID 113451230
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
CID 106945108
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol (CID 115826290) is quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2cccc3ncccc23)c1C.
What is the InChIKey of quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is CJOCXNFNXCAXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-8-15-13(14)7-5-9-18-15/h4-9,17,19H,1-3H3.
What are the key properties of quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol?
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).