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

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

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Related Compounds

9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424217
9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424138
9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
CID 141424068
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
CID 141424143
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424166
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 71245154
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
6-chloro-9-[4-[1-(diethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450201

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).