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

C18H16N4O — CID 129296075

IUPAC(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
SMILESO[C@H]1c2nccnc2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C18H16N4O/c23-18-13(5-6-14-16(18)21-8-7-20-14)17-12-4-2-1-3-11(12)15-9-19-10-22(15)17/h1-4,7-10,13,17-18,23H,5-6H2/t13?,17?,18-/m1/s1
InChIKeyVTDYBFTYOPETTP-ZTUNLMCQSA-N
MW304.35 g/mol
LogP2.54
Rot. Bonds1

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

(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol (PubChem CID 129296075) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol.

Molecular Properties

Compound Name(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
PubChem CID129296075
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
SMILESO[C@H]1c2nccnc2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C18H16N4O/c23-18-13(5-6-14-16(18)21-8-7-20-14)17-12-4-2-1-3-11(12)15-9-19-10-22(15)17/h1-4,7-10,13,17-18,23H,5-6H2/t13?,17?,18-/m1/s1
InChIKeyVTDYBFTYOPETTP-ZTUNLMCQSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296165
(7R,8S)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296780
(7R,8R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129283070
6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 129296378
(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
CID 129282996
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 137405791
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 175796654
(7S,8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8R)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8R)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 159189705
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol?
The IUPAC name of (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol (CID 129296075) is (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol.
What is the SMILES notation for (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol?
The canonical SMILES for (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol is O[C@H]1c2nccnc2CCC1C1c2ccccc2-c2cncn21.
What is the InChIKey of (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol?
The InChIKey is VTDYBFTYOPETTP-ZTUNLMCQSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18-13(5-6-14-16(18)21-8-7-20-14)17-12-4-2-1-3-11(12)15-9-19-10-22(15)17/h1-4,7-10,13,17-18,23H,5-6H2/t13?,17?,18-/m1/s1.
What are the key properties of (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol?
(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol has a molecular weight of 304.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol is sourced from PubChem (CID 129296075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).