9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

C20H18N2OS — CID 141424138

IUPAC9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCc1cc(O)c(-c2ccc([C@H](C)N)cc2)c2c1ncc1sccc12
InChIInChI=1S/C20H18N2OS/c1-11-9-16(23)18(14-5-3-13(4-6-14)12(2)21)19-15-7-8-24-17(15)10-22-20(11)19/h3-10,12,23H,21H2,1-2H3/t12-/m0/s1
InChIKeyWKPYSYRJUCKSFO-LBPRGKRZSA-N
MW334.44 g/mol
LogP5.15
Rot. Bonds2

About 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (PubChem CID 141424138) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
PubChem CID141424138
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCc1cc(O)c(-c2ccc([C@H](C)N)cc2)c2c1ncc1sccc12
InChIInChI=1S/C20H18N2OS/c1-11-9-16(23)18(14-5-3-13(4-6-14)12(2)21)19-15-7-8-24-17(15)10-22-20(11)19/h3-10,12,23H,21H2,1-2H3/t12-/m0/s1
InChIKeyWKPYSYRJUCKSFO-LBPRGKRZSA-N
XLogP5.15
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
CID 141424068
9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424217
6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424064
2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
CID 141424143
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424153
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 71245154
6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424204
9-[4-[(1R)-1-aminoethyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234945
9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424166
9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689478

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (CID 141424138) is 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is Cc1cc(O)c(-c2ccc([C@H](C)N)cc2)c2c1ncc1sccc12.
What is the InChIKey of 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The InChIKey is WKPYSYRJUCKSFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-11-9-16(23)18(14-5-3-13(4-6-14)12(2)21)19-15-7-8-24-17(15)10-22-20(11)19/h3-10,12,23H,21H2,1-2H3/t12-/m0/s1.
What are the key properties of 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol has a molecular weight of 334.44 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).