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

C25H22N4O — CID 18858987

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

4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 18858987) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
• PubChem CID: 18858987
• Molecular Formula: C25H22N4O
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.18
• IUPAC Name: 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
• SMILES: Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ncccc2C)cc1)CC3
• InChI: InChI=1S/C25H22N4O/c1-16-5-6-19-15-20-11-13-29(24(20)27-22(19)14-16)21-9-7-18(8-10-21)25(30)28-23-17(2)4-3-12-26-23/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,28,30)
• InChIKey: IJHOTJMATKMGJP-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide (CID 18858987) is 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide.

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

The canonical SMILES for 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide is Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ncccc2C)cc1)CC3.

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

The InChIKey is IJHOTJMATKMGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-16-5-6-19-15-20-11-13-29(24(20)27-22(19)14-16)21-9-7-18(8-10-21)25(30)28-23-17(2)4-3-12-26-23/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,28,30).

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

4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 394.48 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 18858987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).