2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide

C26H22Cl2N8O3 — CID 53311537

About 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide

2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 53311537) has the molecular formula C26H22Cl2N8O3 and a molecular weight of 565.42 g/mol. Its IUPAC name is 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide
• PubChem CID: 53311537
• Molecular Formula: C26H22Cl2N8O3
• Molecular Weight: 565.42 g/mol
• Exact Mass: 564.12
• IUPAC Name: 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide
• SMILES: Cc1cc(Oc2cc(Cl)c(C(=O)Nc3nn[nH]n3)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1
• InChI: InChI=1S/C26H22Cl2N8O3/c1-14-10-22(39-23-12-18(27)16(11-19(23)28)24(37)30-26-31-33-34-32-26)17(13-29-14)25(38)36-9-8-35(15-6-7-15)20-4-2-3-5-21(20)36/h2-5,10-13,15H,6-9H2,1H3,(H2,30,31,32,33,34,37)
• InChIKey: LXJKCUKKYFXPEK-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 129.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.42
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide?

The IUPAC name of 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide (CID 53311537) is 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide.

What is the SMILES notation for 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide?

The canonical SMILES for 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide is Cc1cc(Oc2cc(Cl)c(C(=O)Nc3nn[nH]n3)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1.

What is the InChIKey of 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide?

The InChIKey is LXJKCUKKYFXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N8O3/c1-14-10-22(39-23-12-18(27)16(11-19(23)28)24(37)30-26-31-33-34-32-26)17(13-29-14)25(38)36-9-8-35(15-6-7-15)20-4-2-3-5-21(20)36/h2-5,10-13,15H,6-9H2,1H3,(H2,30,31,32,33,34,37).

What are the key properties of 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide?

2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 565.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 53311537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).