N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

C27H25N3O2 — CID 18859194

About N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 18859194) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• PubChem CID: 18859194
• Molecular Formula: C27H25N3O2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.19
• IUPAC Name: N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• SMILES: COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2cc(C)ccc2C)cc1)CC3
• InChI: InChI=1S/C27H25N3O2/c1-17-4-5-18(2)24(14-17)29-27(31)19-6-9-22(10-7-19)30-13-12-21-15-20-8-11-23(32-3)16-25(20)28-26(21)30/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)
• InChIKey: PNJVJPRTTOYLRQ-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The IUPAC name of N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 18859194) is N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2cc(C)ccc2C)cc1)CC3.

What is the InChIKey of N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

The InChIKey is PNJVJPRTTOYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-4-5-18(2)24(14-17)29-27(31)19-6-9-22(10-7-19)30-13-12-21-15-20-8-11-23(32-3)16-25(20)28-26(21)30/h4-11,14-16H,12-13H2,1-3H3,(H,29,31).

What are the key properties of N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?

N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 18859194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).