N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide

C28H25N5O4S — CID 71565931

About N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide

N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide (PubChem CID 71565931) has the molecular formula C28H25N5O4S and a molecular weight of 527.61 g/mol. Its IUPAC name is N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide
• PubChem CID: 71565931
• Molecular Formula: C28H25N5O4S
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.16
• IUPAC Name: N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C3(S(C)(=O)=O)CC3)cc2)c(=O)n4C)cn1
• InChI: InChI=1S/C28H25N5O4S/c1-29-26(34)23-11-5-18(15-30-23)17-4-10-22-21(14-17)25-24(16-31-22)32(2)27(35)33(25)20-8-6-19(7-9-20)28(12-13-28)38(3,36)37/h4-11,14-16H,12-13H2,1-3H3,(H,29,34)
• InChIKey: DSJREIXJQPRJSH-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 115.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide (CID 71565931) is N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C3(S(C)(=O)=O)CC3)cc2)c(=O)n4C)cn1.

What is the InChIKey of N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide?

The InChIKey is DSJREIXJQPRJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4S/c1-29-26(34)23-11-5-18(15-30-23)17-4-10-22-21(14-17)25-24(16-31-22)32(2)27(35)33(25)20-8-6-19(7-9-20)28(12-13-28)38(3,36)37/h4-11,14-16H,12-13H2,1-3H3,(H,29,34).

What are the key properties of N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide?

N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide has a molecular weight of 527.61 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71565931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).