9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one

C18H16N2O2S — CID 102077888

IUPAC9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one
SMILESCOc1ccc(-c2cc3nc4c(c(N)c3s2)C(=O)CCC4)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-11-7-5-10(6-8-11)15-9-13-18(23-15)17(19)16-12(20-13)3-2-4-14(16)21/h5-9H,2-4H2,1H3,(H2,19,20)
InChIKeyRYFKOAWRSDBRMD-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.07
Rot. Bonds2

About 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one

9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one (PubChem CID 102077888) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one.

Molecular Properties

Compound Name9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one
PubChem CID102077888
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one
SMILESCOc1ccc(-c2cc3nc4c(c(N)c3s2)C(=O)CCC4)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-11-7-5-10(6-8-11)15-9-13-18(23-15)17(19)16-12(20-13)3-2-4-14(16)21/h5-9H,2-4H2,1H3,(H2,19,20)
InChIKeyRYFKOAWRSDBRMD-UHFFFAOYSA-N
XLogP4.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one?
The IUPAC name of 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one (CID 102077888) is 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one.
What is the SMILES notation for 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one?
The canonical SMILES for 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one is COc1ccc(-c2cc3nc4c(c(N)c3s2)C(=O)CCC4)cc1.
What is the InChIKey of 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one?
The InChIKey is RYFKOAWRSDBRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-11-7-5-10(6-8-11)15-9-13-18(23-15)17(19)16-12(20-13)3-2-4-14(16)21/h5-9H,2-4H2,1H3,(H2,19,20).
What are the key properties of 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one?
9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one has a molecular weight of 324.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(4-methoxyphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one is sourced from PubChem (CID 102077888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).