(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol

C15H15N3O — CID 103142939

IUPAC(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
SMILESCCn1cncc1C(O)c1cccc2ccncc12
InChIInChI=1S/C15H15N3O/c1-2-18-10-17-9-14(18)15(19)12-5-3-4-11-6-7-16-8-13(11)12/h3-10,15,19H,2H2,1H3
InChIKeyLDROTJGFSVSVPY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.53
Rot. Bonds3

About (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol

(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol (PubChem CID 103142939) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
PubChem CID103142939
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
SMILESCCn1cncc1C(O)c1cccc2ccncc12
InChIInChI=1S/C15H15N3O/c1-2-18-10-17-9-14(18)15(19)12-5-3-4-11-6-7-16-8-13(11)12/h3-10,15,19H,2H2,1H3
InChIKeyLDROTJGFSVSVPY-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 103142942
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
1-isoquinolin-8-yl-2-phenylbutan-1-ol
CID 103139135

Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol?
The IUPAC name of (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol (CID 103142939) is (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol is CCn1cncc1C(O)c1cccc2ccncc12.
What is the InChIKey of (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol?
The InChIKey is LDROTJGFSVSVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-10-17-9-14(18)15(19)12-5-3-4-11-6-7-16-8-13(11)12/h3-10,15,19H,2H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol?
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol has a molecular weight of 253.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103142939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).