3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

C₂₁H₂₁N₅O₂ — CID 155522921

About 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (PubChem CID 155522921) has the molecular formula C₂₁H₂₁N₅O₂ and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.

Molecular Properties

• Compound Name: 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
• PubChem CID: 155522921
• Molecular Formula: C₂₁H₂₁N₅O₂
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
• SMILES: c1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1
• InChI: InChI=1S/C21H21N5O2/c1-2-6-16-15(5-1)23-19(21-25-17-7-3-4-8-18(17)28-21)20(24-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,24)
• InChIKey: LDDDTDUZZLYKDI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 76.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?

The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (CID 155522921) is 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.

What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?

The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is c1ccc2nc(-c3nc4ccccc4o3)c(NCCN3CCOCC3)nc2c1.

What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?

The InChIKey is LDDDTDUZZLYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-6-16-15(5-1)23-19(21-25-17-7-3-4-8-18(17)28-21)20(24-16)22-9-10-26-11-13-27-14-12-26/h1-8H,9-14H2,(H,22,24).

What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?

3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine has a molecular weight of 375.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is sourced from PubChem (CID 155522921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155522921 — identifiers, structure, computed properties (public domain)

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