8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one

C21H20N2O2S — CID 67447737

IUPAC8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNC(C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-12(22-2)13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)23-16/h4-12,22H,1-3H3,(H,23,24)
InChIKeyXRZNWKLGDLAKCQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.70
Rot. Bonds4

About 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one

8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447737) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447737
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNC(C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-12(22-2)13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)23-16/h4-12,22H,1-3H3,(H,23,24)
InChIKeyXRZNWKLGDLAKCQ-UHFFFAOYSA-N
XLogP4.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 67447737) is 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is CNC(C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is XRZNWKLGDLAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-12(22-2)13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)23-16/h4-12,22H,1-3H3,(H,23,24).
What are the key properties of 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).