N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

C25H20IN3O2 — CID 18859249

About N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 18859249) has the molecular formula C25H20IN3O2 and a molecular weight of 521.36 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• PubChem CID: 18859249
• Molecular Formula: C25H20IN3O2
• Molecular Weight: 521.36 g/mol
• Exact Mass: 521.06
• IUPAC Name: N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• SMILES: COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(I)cc2)cc1)CC3
• InChI: InChI=1S/C25H20IN3O2/c1-31-22-11-4-17-14-18-12-13-29(24(18)28-23(17)15-22)21-9-2-16(3-10-21)25(30)27-20-7-5-19(26)6-8-20/h2-11,14-15H,12-13H2,1H3,(H,27,30)
• InChIKey: YEBSAHJGBQQFQA-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.36
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The IUPAC name of N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 18859249) is N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

What is the SMILES notation for N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The canonical SMILES for N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(I)cc2)cc1)CC3.

What is the InChIKey of N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The InChIKey is YEBSAHJGBQQFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20IN3O2/c1-31-22-11-4-17-14-18-12-13-29(24(18)28-23(17)15-22)21-9-2-16(3-10-21)25(30)27-20-7-5-19(26)6-8-20/h2-11,14-15H,12-13H2,1H3,(H,27,30).

What are the key properties of N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 521.36 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 18859249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).