9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C20H18N2O2S — CID 67447393

IUPAC9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-16-7-6-15-18(14-9-11-25-19(14)20(23)22-15)17(16)13-4-2-12(3-5-13)8-10-21/h2-7,9,11H,8,10,21H2,1H3,(H,22,23)
InChIKeyCUQGMLWXJHUOGX-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.92
Rot. Bonds4

About 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447393) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447393
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-16-7-6-15-18(14-9-11-25-19(14)20(23)22-15)17(16)13-4-2-12(3-5-13)8-10-21/h2-7,9,11H,8,10,21H2,1H3,(H,22,23)
InChIKeyCUQGMLWXJHUOGX-UHFFFAOYSA-N
XLogP3.92
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447393) is 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1.
What is the InChIKey of 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is CUQGMLWXJHUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-24-16-7-6-15-18(14-9-11-25-19(14)20(23)22-15)17(16)13-4-2-12(3-5-13)8-10-21/h2-7,9,11H,8,10,21H2,1H3,(H,22,23).
What are the key properties of 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 350.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminoethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).