isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol

C16H17N3O — CID 103142942

IUPACisoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)c1cccc2ccncc12
InChIInChI=1S/C16H17N3O/c1-11(2)19-10-18-9-15(19)16(20)13-5-3-4-12-6-7-17-8-14(12)13/h3-11,16,20H,1-2H3
InChIKeyVOAUXTLPSBMIAG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds3

About isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol

isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol (PubChem CID 103142942) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
PubChem CID103142942
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Nameisoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)c1cccc2ccncc12
InChIInChI=1S/C16H17N3O/c1-11(2)19-10-18-9-15(19)16(20)13-5-3-4-12-6-7-17-8-14(12)13/h3-11,16,20H,1-2H3
InChIKeyVOAUXTLPSBMIAG-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol?
The IUPAC name of isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol (CID 103142942) is isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol?
The canonical SMILES for isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol is CC(C)n1cncc1C(O)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol?
The InChIKey is VOAUXTLPSBMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)19-10-18-9-15(19)16(20)13-5-3-4-12-6-7-17-8-14(12)13/h3-11,16,20H,1-2H3.
What are the key properties of isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol?
isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 103142942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).