6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one

C21H19NO3S — CID 15367217

IUPAC6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one
SMILESCc1ccc(OCC(=O)C2CSc3ccc4c(ccc(=O)n4C)c32)cc1
InChIInChI=1S/C21H19NO3S/c1-13-3-5-14(6-4-13)25-11-18(23)16-12-26-19-9-8-17-15(21(16)19)7-10-20(24)22(17)2/h3-10,16H,11-12H2,1-2H3
InChIKeyDWKRSESOMZVWRK-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.68
Rot. Bonds4

About 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one

6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one (PubChem CID 15367217) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one
PubChem CID15367217
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one
SMILESCc1ccc(OCC(=O)C2CSc3ccc4c(ccc(=O)n4C)c32)cc1
InChIInChI=1S/C21H19NO3S/c1-13-3-5-14(6-4-13)25-11-18(23)16-12-26-19-9-8-17-15(21(16)19)7-10-20(24)22(17)2/h3-10,16H,11-12H2,1-2H3
InChIKeyDWKRSESOMZVWRK-UHFFFAOYSA-N
XLogP3.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The IUPAC name of 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one (CID 15367217) is 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one.
What is the SMILES notation for 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The canonical SMILES for 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one is Cc1ccc(OCC(=O)C2CSc3ccc4c(ccc(=O)n4C)c32)cc1.
What is the InChIKey of 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one?
The InChIKey is DWKRSESOMZVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-13-3-5-14(6-4-13)25-11-18(23)16-12-26-19-9-8-17-15(21(16)19)7-10-20(24)22(17)2/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one?
6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one has a molecular weight of 365.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(4-methylphenoxy)acetyl]-1,2-dihydrothieno[3,2-f]quinolin-7-one is sourced from PubChem (CID 15367217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).