(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol

C20H17NO4 — CID 134133591

IUPAC(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol
SMILESCOc1cc2cc(C(O)c3ccc4ncccc4c3)oc2cc1OC
InChIInChI=1S/C20H17NO4/c1-23-17-9-14-10-19(25-16(14)11-18(17)24-2)20(22)13-5-6-15-12(8-13)4-3-7-21-15/h3-11,20,22H,1-2H3
InChIKeyHYEKSHMWFIUPRD-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.08
Rot. Bonds4

About (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol

(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol (PubChem CID 134133591) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol
PubChem CID134133591
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol
SMILESCOc1cc2cc(C(O)c3ccc4ncccc4c3)oc2cc1OC
InChIInChI=1S/C20H17NO4/c1-23-17-9-14-10-19(25-16(14)11-18(17)24-2)20(22)13-5-6-15-12(8-13)4-3-7-21-15/h3-11,20,22H,1-2H3
InChIKeyHYEKSHMWFIUPRD-UHFFFAOYSA-N
XLogP4.08
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol?
The IUPAC name of (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol (CID 134133591) is (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol.
What is the SMILES notation for (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol?
The canonical SMILES for (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol is COc1cc2cc(C(O)c3ccc4ncccc4c3)oc2cc1OC.
What is the InChIKey of (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol?
The InChIKey is HYEKSHMWFIUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-17-9-14-10-19(25-16(14)11-18(17)24-2)20(22)13-5-6-15-12(8-13)4-3-7-21-15/h3-11,20,22H,1-2H3.
What are the key properties of (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol?
(5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol has a molecular weight of 335.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1-benzofuran-2-yl)-quinolin-6-ylmethanol is sourced from PubChem (CID 134133591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).