3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

C24H16F2N4O3S — CID 56847469

About 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 56847469) has the molecular formula C24H16F2N4O3S and a molecular weight of 478.48 g/mol. Its IUPAC name is 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
• PubChem CID: 56847469
• Molecular Formula: C24H16F2N4O3S
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.09
• IUPAC Name: 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
• SMILES: COc1cc2ncc3c(c2cc1OCc1ccsc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C
• InChI: InChI=1S/C24H16F2N4O3S/c1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26/h3-8,10,12H,11H2,1-2H3
• InChIKey: QUGHMXGNWHXGGL-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 82.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?

The IUPAC name of 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 56847469) is 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

What is the SMILES notation for 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?

The canonical SMILES for 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c2cc1OCc1ccsc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.

What is the InChIKey of 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?

The InChIKey is QUGHMXGNWHXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O3S/c1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26/h3-8,10,12H,11H2,1-2H3.

What are the key properties of 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?

3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 478.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 56847469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).