1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

C51H51N7O5S3 — CID 157423413

About 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (PubChem CID 157423413) has the molecular formula C51H51N7O5S3 and a molecular weight of 938.21 g/mol. Its IUPAC name is 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.

Molecular Properties

• Compound Name: 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
• PubChem CID: 157423413
• Molecular Formula: C51H51N7O5S3
• Molecular Weight: 938.21 g/mol
• Exact Mass: 937.31
• IUPAC Name: 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
• SMILES: CC(=O)CNc1c(C(C)=O)sc2ccc3nc(C)ccc3c12.CC(=O)c1sc2ccc3nc(C)ccc3c2c1N.CCC(C)=O.Cc1ccc2c(ccc3sc4c(c32)NCC(C)NC4=O)n1
• InChI: InChI=1S/C17H16N2O2S.C16H15N3OS.C14H12N2OS.C4H8O/c1-9-4-5-12-13(19-9)6-7-14-15(12)16(18-8-10(2)20)17(22-14)11(3)21;1-8-3-4-10-11(18-8)5-6-12-13(10)14-15(21-12)16(20)19-9(2)7-17-14;1-7-3-4-9-10(16-7)5-6-11-12(9)13(15)14(18-11)8(2)17;1-3-4(2)5/h4-7,18H,8H2,1-3H3;3-6,9,17H,7H2,1-2H3,(H,19,20);3-6H,15H2,1-2H3;3H2,1-2H3
• InChIKey: BPRGTTPJGAUEGH-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 186.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.21
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?

The IUPAC name of 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (CID 157423413) is 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.

What is the SMILES notation for 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?

The canonical SMILES for 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is CC(=O)CNc1c(C(C)=O)sc2ccc3nc(C)ccc3c12.CC(=O)c1sc2ccc3nc(C)ccc3c2c1N.CCC(C)=O.Cc1ccc2c(ccc3sc4c(c32)NCC(C)NC4=O)n1.

What is the InChIKey of 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?

The InChIKey is BPRGTTPJGAUEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S.C16H15N3OS.C14H12N2OS.C4H8O/c1-9-4-5-12-13(19-9)6-7-14-15(12)16(18-8-10(2)20)17(22-14)11(3)21;1-8-3-4-10-11(18-8)5-6-12-13(10)14-15(21-12)16(20)19-9(2)7-17-14;1-7-3-4-9-10(16-7)5-6-11-12(9)13(15)14(18-11)8(2)17;1-3-4(2)5/h4-7,18H,8H2,1-3H3;3-6,9,17H,7H2,1-2H3,(H,19,20);3-6H,15H2,1-2H3;3H2,1-2H3.

What are the key properties of 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?

1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one has a molecular weight of 938.21 g/mol, XLogP of 11.79, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-acetyl-7-methylthieno[3,2-f]quinolin-1-yl)amino]propan-2-one;1-(1-amino-7-methylthieno[3,2-f]quinolin-2-yl)ethanone;butan-2-one;5,15-dimethyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is sourced from PubChem (CID 157423413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).