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

C24H19ClN4O2 — CID 18859231

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

N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 18859231) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• PubChem CID: 18859231
• Molecular Formula: C24H19ClN4O2
• Molecular Weight: 430.90 g/mol
• Exact Mass: 430.12
• IUPAC Name: N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
• SMILES: COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)CC3
• InChI: InChI=1S/C24H19ClN4O2/c1-31-20-8-4-16-12-17-10-11-29(23(17)27-21(16)13-20)19-6-2-15(3-7-19)24(30)28-22-9-5-18(25)14-26-22/h2-9,12-14H,10-11H2,1H3,(H,26,28,30)
• InChIKey: YHIDGUKAPNVQAM-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.90
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 18859231) is N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

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

The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)CC3.

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

The InChIKey is YHIDGUKAPNVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-31-20-8-4-16-12-17-10-11-29(23(17)27-21(16)13-20)19-6-2-15(3-7-19)24(30)28-22-9-5-18(25)14-26-22/h2-9,12-14H,10-11H2,1H3,(H,26,28,30).

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

N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 430.90 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 18859231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).