9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C24H26N2O2S — CID 67448904

IUPAC9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(C)C[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C24H26N2O2S/c1-5-26(4)13-15(3)16-6-8-17(9-7-16)20-19(27)12-14(2)22-21(20)18-10-11-29-23(18)24(28)25-22/h6-12,15,27H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyVUEWLORAHCWFHP-HNNXBMFYSA-N
MW406.55 g/mol
LogP5.48
Rot. Bonds5

About 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448904) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448904
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(C)C[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C24H26N2O2S/c1-5-26(4)13-15(3)16-6-8-17(9-7-16)20-19(27)12-14(2)22-21(20)18-10-11-29-23(18)24(28)25-22/h6-12,15,27H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyVUEWLORAHCWFHP-HNNXBMFYSA-N
XLogP5.48
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
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-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 67448904) is 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is CCN(C)C[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is VUEWLORAHCWFHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-5-26(4)13-15(3)16-6-8-17(9-7-16)20-19(27)12-14(2)22-21(20)18-10-11-29-23(18)24(28)25-22/h6-12,15,27H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1.
What are the key properties of 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 406.55 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).