2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine

C23H24N2OS — CID 141424143

IUPAC2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1ccc(-c2c(OC)cc(C)c3ncc4sccc4c23)cc1
InChIInChI=1S/C23H24N2OS/c1-4-15(12-24)16-5-7-17(8-6-16)21-19(26-3)11-14(2)23-22(21)18-9-10-27-20(18)13-25-23/h5-11,13,15H,4,12,24H2,1-3H3
InChIKeyODPYTZJINKIGEU-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.89
Rot. Bonds5

About 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine

2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine (PubChem CID 141424143) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
PubChem CID141424143
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1ccc(-c2c(OC)cc(C)c3ncc4sccc4c23)cc1
InChIInChI=1S/C23H24N2OS/c1-4-15(12-24)16-5-7-17(8-6-16)21-19(26-3)11-14(2)23-22(21)18-9-10-27-20(18)13-25-23/h5-11,13,15H,4,12,24H2,1-3H3
InChIKeyODPYTZJINKIGEU-UHFFFAOYSA-N
XLogP5.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine?
The IUPAC name of 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine (CID 141424143) is 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine.
What is the SMILES notation for 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine?
The canonical SMILES for 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine is CCC(CN)c1ccc(-c2c(OC)cc(C)c3ncc4sccc4c23)cc1.
What is the InChIKey of 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine?
The InChIKey is ODPYTZJINKIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-4-15(12-24)16-5-7-17(8-6-16)21-19(26-3)11-14(2)23-22(21)18-9-10-27-20(18)13-25-23/h5-11,13,15H,4,12,24H2,1-3H3.
What are the key properties of 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine?
2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine has a molecular weight of 376.53 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine is sourced from PubChem (CID 141424143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).