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

C26H20Cl2N6O3S — CID 53311183

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

2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 53311183) has the molecular formula C26H20Cl2N6O3S and a molecular weight of 567.46 g/mol. Its IUPAC name is 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 53311183
• Molecular Formula: C26H20Cl2N6O3S
• Molecular Weight: 567.46 g/mol
• Exact Mass: 566.07
• IUPAC Name: 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
• SMILES: O=C(Nc1nncs1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
• InChI: InChI=1S/C26H20Cl2N6O3S/c27-18-12-23(19(28)11-16(18)24(35)31-26-32-30-14-38-26)37-22-7-8-29-13-17(22)25(36)34-10-9-33(15-5-6-15)20-3-1-2-4-21(20)34/h1-4,7-8,11-15H,5-6,9-10H2,(H,31,32,35)
• InChIKey: LKWDKOFADWGIGE-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.46
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 53311183) is 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.

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

The canonical SMILES for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.

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

The InChIKey is LKWDKOFADWGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N6O3S/c27-18-12-23(19(28)11-16(18)24(35)31-26-32-30-14-38-26)37-22-7-8-29-13-17(22)25(36)34-10-9-33(15-5-6-15)20-3-1-2-4-21(20)34/h1-4,7-8,11-15H,5-6,9-10H2,(H,31,32,35).

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

2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 567.46 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 53311183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).