5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

C16H15N3O — CID 3042621

IUPAC5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccncc2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C16H15N3O/c20-16(13-5-7-17-8-6-13)11-12-3-1-2-4-14(12)15-18-9-10-19(15)16/h1-8,20H,9-11H2
InChIKeyGMTAFOIKCLRTDD-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.55
Rot. Bonds1

About 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (PubChem CID 3042621) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.

Molecular Properties

Compound Name5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
PubChem CID3042621
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
SMILESOC1(c2ccncc2)Cc2ccccc2C2=NCCN21
InChIInChI=1S/C16H15N3O/c20-16(13-5-7-17-8-6-13)11-12-3-1-2-4-14(12)15-18-9-10-19(15)16/h1-8,20H,9-11H2
InChIKeyGMTAFOIKCLRTDD-UHFFFAOYSA-N
XLogP1.55
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The IUPAC name of 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol (CID 3042621) is 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol.
What is the SMILES notation for 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The canonical SMILES for 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is OC1(c2ccncc2)Cc2ccccc2C2=NCCN21.
What is the InChIKey of 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
The InChIKey is GMTAFOIKCLRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(13-5-7-17-8-6-13)11-12-3-1-2-4-14(12)15-18-9-10-19(15)16/h1-8,20H,9-11H2.
What are the key properties of 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol?
5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol has a molecular weight of 265.32 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol is sourced from PubChem (CID 3042621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).