(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol

C14H10ClNO2 — CID 106694109

IUPAC(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(Cl)o1)c1cccc2ccncc12
InChIInChI=1S/C14H10ClNO2/c15-13-5-4-12(18-13)14(17)10-3-1-2-9-6-7-16-8-11(9)10/h1-8,14,17H
InChIKeyOHELEMVHAFHTKR-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.56
Rot. Bonds2

About (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol

(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol (PubChem CID 106694109) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
PubChem CID106694109
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(Cl)o1)c1cccc2ccncc12
InChIInChI=1S/C14H10ClNO2/c15-13-5-4-12(18-13)14(17)10-3-1-2-9-6-7-16-8-11(9)10/h1-8,14,17H
InChIKeyOHELEMVHAFHTKR-UHFFFAOYSA-N
XLogP3.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
CID 103143008
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol?
The IUPAC name of (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol (CID 106694109) is (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol is OC(c1ccc(Cl)o1)c1cccc2ccncc12.
What is the InChIKey of (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol?
The InChIKey is OHELEMVHAFHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-13-5-4-12(18-13)14(17)10-3-1-2-9-6-7-16-8-11(9)10/h1-8,14,17H.
What are the key properties of (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol?
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol has a molecular weight of 259.69 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 106694109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).