6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

C20H17ClN2OS — CID 141424204

IUPAC6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1
InChIInChI=1S/C20H17ClN2OS/c1-22-8-6-12-2-4-13(5-3-12)18-16(24)10-15(21)20-19(18)14-7-9-25-17(14)11-23-20/h2-5,7,9-11,22,24H,6,8H2,1H3
InChIKeyIVOBMMAFJSECLB-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.24
Rot. Bonds4

About 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424204) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424204
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1
InChIInChI=1S/C20H17ClN2OS/c1-22-8-6-12-2-4-13(5-3-12)18-16(24)10-15(21)20-19(18)14-7-9-25-17(14)11-23-20/h2-5,7,9-11,22,24H,6,8H2,1H3
InChIKeyIVOBMMAFJSECLB-UHFFFAOYSA-N
XLogP5.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (CID 141424204) is 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is CNCCc1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1.
What is the InChIKey of 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is IVOBMMAFJSECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-22-8-6-12-2-4-13(5-3-12)18-16(24)10-15(21)20-19(18)14-7-9-25-17(14)11-23-20/h2-5,7,9-11,22,24H,6,8H2,1H3.
What are the key properties of 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 368.89 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).