[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride

C21H16ClN3OS — CID 66624139

IUPAC[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1
InChIInChI=1S/C21H15N3OS.ClH/c25-12-18-8-17(13-26-18)15-5-6-21-23-20(11-24(21)10-15)16-7-14-3-1-2-4-19(14)22-9-16;/h1-11,13,25H,12H2;1H
InChIKeyIAIOEPDOPODTFB-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.19
Rot. Bonds3

About [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride

[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride (PubChem CID 66624139) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride
PubChem CID66624139
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC Name[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1
InChIInChI=1S/C21H15N3OS.ClH/c25-12-18-8-17(13-26-18)15-5-6-21-23-20(11-24(21)10-15)16-7-14-3-1-2-4-19(14)22-9-16;/h1-11,13,25H,12H2;1H
InChIKeyIAIOEPDOPODTFB-UHFFFAOYSA-N
XLogP5.19
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride?
The IUPAC name of [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride (CID 66624139) is [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride?
The canonical SMILES for [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride is Cl.OCc1cc(-c2ccc3nc(-c4cnc5ccccc5c4)cn3c2)cs1.
What is the InChIKey of [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride?
The InChIKey is IAIOEPDOPODTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS.ClH/c25-12-18-8-17(13-26-18)15-5-6-21-23-20(11-24(21)10-15)16-7-14-3-1-2-4-19(14)22-9-16;/h1-11,13,25H,12H2;1H.
What are the key properties of [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride?
[4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol;hydrochloride is sourced from PubChem (CID 66624139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).