(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol

C19H17N3O — CID 129283334

IUPAC(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
SMILESO[C@]1([C@H]2c3ccccc3-c3cncn32)CCCc2ccncc21
InChIInChI=1S/C19H17N3O/c23-19(8-3-4-13-7-9-20-10-16(13)19)18-15-6-2-1-5-14(15)17-11-21-12-22(17)18/h1-2,5-7,9-12,18,23H,3-4,8H2/t18-,19-/m1/s1
InChIKeyVGBCAAAUEFSOJM-RTBURBONSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds1

About (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol

(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol (PubChem CID 129283334) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol.

Molecular Properties

Compound Name(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
PubChem CID129283334
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
SMILESO[C@]1([C@H]2c3ccccc3-c3cncn32)CCCc2ccncc21
InChIInChI=1S/C19H17N3O/c23-19(8-3-4-13-7-9-20-10-16(13)19)18-15-6-2-1-5-14(15)17-11-21-12-22(17)18/h1-2,5-7,9-12,18,23H,3-4,8H2/t18-,19-/m1/s1
InChIKeyVGBCAAAUEFSOJM-RTBURBONSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol?
The IUPAC name of (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol (CID 129283334) is (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol.
What is the SMILES notation for (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol?
The canonical SMILES for (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol is O[C@]1([C@H]2c3ccccc3-c3cncn32)CCCc2ccncc21.
What is the InChIKey of (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol?
The InChIKey is VGBCAAAUEFSOJM-RTBURBONSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(8-3-4-13-7-9-20-10-16(13)19)18-15-6-2-1-5-14(15)17-11-21-12-22(17)18/h1-2,5-7,9-12,18,23H,3-4,8H2/t18-,19-/m1/s1.
What are the key properties of (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol?
(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol has a molecular weight of 303.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol is sourced from PubChem (CID 129283334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).