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

C26H22ClN3O2 — CID 18859191

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

N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 18859191) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• PubChem CID: 18859191
• Molecular Formula: C26H22ClN3O2
• Molecular Weight: 443.93 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• SMILES: COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)CC3
• InChI: InChI=1S/C26H22ClN3O2/c1-16-13-20(27)6-10-23(16)29-26(31)17-3-7-21(8-4-17)30-12-11-19-14-18-5-9-22(32-2)15-24(18)28-25(19)30/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)
• InChIKey: DYYUXAXJIJJIHZ-UHFFFAOYSA-N
• XLogP: 6.15
• 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	443.93
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 18859191) is N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

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

The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)CC3.

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

The InChIKey is DYYUXAXJIJJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-16-13-20(27)6-10-23(16)29-26(31)17-3-7-21(8-4-17)30-12-11-19-14-18-5-9-22(32-2)15-24(18)28-25(19)30/h3-10,13-15H,11-12H2,1-2H3,(H,29,31).

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

N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 443.93 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 18859191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).