3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

C28H24N4O4 — CID 91440551

About 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 91440551) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• PubChem CID: 91440551
• Molecular Formula: C28H24N4O4
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.18
• IUPAC Name: 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• SMILES: COc1c(C(=O)N(C)Cc2ccccn2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
• InChI: InChI=1S/C28H24N4O4/c1-31(16-19-12-8-9-15-29-19)28(35)25-26(36-2)23-24(30-25)20-13-6-7-14-21(20)32(27(23)34)17-22(33)18-10-4-3-5-11-18/h3-15,30H,16-17H2,1-2H3
• InChIKey: IMIBFPBBXBBSJA-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The IUPAC name of 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 91440551) is 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

What is the SMILES notation for 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The canonical SMILES for 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)N(C)Cc2ccccn2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.

What is the InChIKey of 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The InChIKey is IMIBFPBBXBBSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-31(16-19-12-8-9-15-29-19)28(35)25-26(36-2)23-24(30-25)20-13-6-7-14-21(20)32(27(23)34)17-22(33)18-10-4-3-5-11-18/h3-15,30H,16-17H2,1-2H3.

What are the key properties of 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 91440551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).