6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol

C21H19ClN2OS — CID 141424064

IUPAC6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC[C@H](NC)c1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1
InChIInChI=1S/C21H19ClN2OS/c1-3-16(23-2)12-4-6-13(7-5-12)19-17(25)10-15(22)21-20(19)14-8-9-26-18(14)11-24-21/h4-11,16,23,25H,3H2,1-2H3/t16-/m0/s1
InChIKeyMTKFPCDMAUWFTK-INIZCTEOSA-N
MW382.92 g/mol
LogP6.15
Rot. Bonds4

About 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol

6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424064) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424064
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC Name6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCC[C@H](NC)c1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1
InChIInChI=1S/C21H19ClN2OS/c1-3-16(23-2)12-4-6-13(7-5-12)19-17(25)10-15(22)21-20(19)14-8-9-26-18(14)11-24-21/h4-11,16,23,25H,3H2,1-2H3/t16-/m0/s1
InChIKeyMTKFPCDMAUWFTK-INIZCTEOSA-N
XLogP6.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 56.15
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-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol (CID 141424064) is 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol is CC[C@H](NC)c1ccc(-c2c(O)cc(Cl)c3ncc4sccc4c23)cc1.
What is the InChIKey of 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is MTKFPCDMAUWFTK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19ClN2OS/c1-3-16(23-2)12-4-6-13(7-5-12)19-17(25)10-15(22)21-20(19)14-8-9-26-18(14)11-24-21/h4-11,16,23,25H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol?
6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 382.92 g/mol, XLogP of 6.15, 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-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).