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

C21H18N2OS — CID 141424068

IUPAC9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
SMILESC=Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1ncc1sccc12
InChIInChI=1S/C21H18N2OS/c1-3-13-10-17(24)19(15-6-4-14(5-7-15)12(2)22)20-16-8-9-25-18(16)11-23-21(13)20/h3-12,24H,1,22H2,2H3/t12-/m1/s1
InChIKeyNSPLZDKJQBTDHM-GFCCVEGCSA-N
MW346.46 g/mol
LogP5.48
Rot. Bonds3

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

9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol (PubChem CID 141424068) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
PubChem CID141424068
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
SMILESC=Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1ncc1sccc12
InChIInChI=1S/C21H18N2OS/c1-3-13-10-17(24)19(15-6-4-14(5-7-15)12(2)22)20-16-8-9-25-18(16)11-23-21(13)20/h3-12,24H,1,22H2,2H3/t12-/m1/s1
InChIKeyNSPLZDKJQBTDHM-GFCCVEGCSA-N
XLogP5.48
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.48
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-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol (CID 141424068) is 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol is C=Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1ncc1sccc12.
What is the InChIKey of 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol?
The InChIKey is NSPLZDKJQBTDHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-3-13-10-17(24)19(15-6-4-14(5-7-15)12(2)22)20-16-8-9-25-18(16)11-23-21(13)20/h3-12,24H,1,22H2,2H3/t12-/m1/s1.
What are the key properties of 9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol?
9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol has a molecular weight of 346.46 g/mol, XLogP of 5.48, 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-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).