methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate

C28H26Cl2N4O5 — CID 53311535

About methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate

methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate (PubChem CID 53311535) has the molecular formula C28H26Cl2N4O5 and a molecular weight of 569.45 g/mol. Its IUPAC name is methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate
• PubChem CID: 53311535
• Molecular Formula: C28H26Cl2N4O5
• Molecular Weight: 569.45 g/mol
• Exact Mass: 568.13
• IUPAC Name: methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate
• SMILES: COC(=O)CNC(=O)c1cc(Cl)c(Oc2cc(C)ncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
• InChI: InChI=1S/C28H26Cl2N4O5/c1-16-11-24(39-25-13-20(29)18(12-21(25)30)27(36)32-15-26(35)38-2)19(14-31-16)28(37)34-10-9-33(17-7-8-17)22-5-3-4-6-23(22)34/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,36)
• InChIKey: QSPUCUIDHWCLAR-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.45
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate?

The IUPAC name of methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate (CID 53311535) is methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate?

The canonical SMILES for methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cc(Cl)c(Oc2cc(C)ncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.

What is the InChIKey of methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate?

The InChIKey is QSPUCUIDHWCLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O5/c1-16-11-24(39-25-13-20(29)18(12-21(25)30)27(36)32-15-26(35)38-2)19(14-31-16)28(37)34-10-9-33(17-7-8-17)22-5-3-4-6-23(22)34/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,36).

What are the key properties of methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate?

methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate has a molecular weight of 569.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2,5-dichloro-4-[[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-2-methyl-4-pyridinyl]oxy]benzoyl]amino]acetate is sourced from PubChem (CID 53311535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).