2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol

C18H12N2OS — CID 793994

IUPAC2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2cccc3cccnc23)sc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H/b20-11+
InChIKeyKMCISLJBVNPREM-RGVLZGJSSA-N
MW304.37 g/mol
LogP4.91
Rot. Bonds2

About 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol

2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol (PubChem CID 793994) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol
PubChem CID793994
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2cccc3cccnc23)sc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H/b20-11+
InChIKeyKMCISLJBVNPREM-RGVLZGJSSA-N
XLogP4.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(Benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 9846057
1-(5-Fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 10112935
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-6-yl-piperazin-1-yl)-propan-1-ol
CID 10179327
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-3-yl-piperazin-1-yl)-propan-1-ol
CID 10916460
(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
CID 658869
(Z)-2-((pyridin-3-ylamino)methylene)benzo[b]thiophen-3(2H)-one
CID 658897
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
2-Quinolin-2-yl-1-benzothiophen-3-ol
CID 135569931
2-(6-Fluoroquinolin-2-yl)-1-benzothiophen-3-ol
CID 176429834
N-(2-hydroxybenzylidene)-8-aminoquinoline
CID 4863480
2-Fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156804987
3-Fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218842

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol?
The IUPAC name of 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol (CID 793994) is 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol?
The canonical SMILES for 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol is Oc1c(/C=N/c2cccc3cccnc23)sc2ccccc12.
What is the InChIKey of 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol?
The InChIKey is KMCISLJBVNPREM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H/b20-11+.
What are the key properties of 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol?
2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol has a molecular weight of 304.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-yliminomethyl)-1-benzothiophen-3-ol is sourced from PubChem (CID 793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).