9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

C20H18N2OS — CID 141424153

IUPAC9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCN[C@H](C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1
InChIInChI=1S/C20H18N2OS/c1-12(21-2)13-3-5-14(6-4-13)19-17(23)8-7-16-20(19)15-9-10-24-18(15)11-22-16/h3-12,21,23H,1-2H3/t12-/m1/s1
InChIKeyVDBRYJPCMRMCKI-GFCCVEGCSA-N
MW334.44 g/mol
LogP5.10
Rot. Bonds3

About 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol

9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424153) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424153
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
SMILESCN[C@H](C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1
InChIInChI=1S/C20H18N2OS/c1-12(21-2)13-3-5-14(6-4-13)19-17(23)8-7-16-20(19)15-9-10-24-18(15)11-22-16/h3-12,21,23H,1-2H3/t12-/m1/s1
InChIKeyVDBRYJPCMRMCKI-GFCCVEGCSA-N
XLogP5.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol (CID 141424153) is 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is CN[C@H](C)c1ccc(-c2c(O)ccc3ncc4sccc4c23)cc1.
What is the InChIKey of 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is VDBRYJPCMRMCKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-12(21-2)13-3-5-14(6-4-13)19-17(23)8-7-16-20(19)15-9-10-24-18(15)11-22-16/h3-12,21,23H,1-2H3/t12-/m1/s1.
What are the key properties of 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 334.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).