9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C21H20N2O2S — CID 67447467

IUPAC9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(2)12-13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)22-16/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeySRZXAPKPOAKZSD-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.48
Rot. Bonds4

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

9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447467) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447467
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1
InChIInChI=1S/C21H20N2O2S/c1-23(2)12-13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)22-16/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeySRZXAPKPOAKZSD-UHFFFAOYSA-N
XLogP4.48
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447467) is 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1.
What is the InChIKey of 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is SRZXAPKPOAKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(2)12-13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)22-16/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(dimethylamino)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).