9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C24H24N2O2S — CID 118194110

About 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 118194110) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
• PubChem CID: 118194110
• Molecular Formula: C24H24N2O2S
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.16
• IUPAC Name: 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
• SMILES: COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(C(C)N)CC2)cc1
• InChI: InChI=1S/C24H24N2O2S/c1-13-12-18(28-3)19(20-17-8-11-29-22(17)23(27)26-21(13)20)15-4-6-16(7-5-15)24(9-10-24)14(2)25/h4-8,11-12,14H,9-10,25H2,1-3H3,(H,26,27)
• InChIKey: DSGKXOLGGZAICT-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 68.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The IUPAC name of 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 118194110) is 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

What is the SMILES notation for 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The canonical SMILES for 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(C(C)N)CC2)cc1.

What is the InChIKey of 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The InChIKey is DSGKXOLGGZAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-13-12-18(28-3)19(20-17-8-11-29-22(17)23(27)26-21(13)20)15-4-6-16(7-5-15)24(9-10-24)14(2)25/h4-8,11-12,14H,9-10,25H2,1-3H3,(H,26,27).

What are the key properties of 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 404.54 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 118194110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).