7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one

C14H12N2OS — CID 143638320

IUPAC7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one
SMILESC=C(NC)c1ccc2c(c1)[nH]c(=O)c1ccsc12
InChIInChI=1S/C14H12N2OS/c1-8(15-2)9-3-4-10-12(7-9)16-14(17)11-5-6-18-13(10)11/h3-7,15H,1H2,2H3,(H,16,17)
InChIKeyQBQNUQHQLJWYOX-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.93
Rot. Bonds2

About 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one

7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one (PubChem CID 143638320) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one
PubChem CID143638320
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one
SMILESC=C(NC)c1ccc2c(c1)[nH]c(=O)c1ccsc12
InChIInChI=1S/C14H12N2OS/c1-8(15-2)9-3-4-10-12(7-9)16-14(17)11-5-6-18-13(10)11/h3-7,15H,1H2,2H3,(H,16,17)
InChIKeyQBQNUQHQLJWYOX-UHFFFAOYSA-N
XLogP2.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one?
The IUPAC name of 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one (CID 143638320) is 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one is C=C(NC)c1ccc2c(c1)[nH]c(=O)c1ccsc12.
What is the InChIKey of 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one?
The InChIKey is QBQNUQHQLJWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8(15-2)9-3-4-10-12(7-9)16-14(17)11-5-6-18-13(10)11/h3-7,15H,1H2,2H3,(H,16,17).
What are the key properties of 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one?
7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one has a molecular weight of 256.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(methylamino)ethenyl]-5H-thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 143638320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).