[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate

C30H28N8O4 — CID 123657151

About [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate

[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate (PubChem CID 123657151) has the molecular formula C30H28N8O4 and a molecular weight of 564.61 g/mol. Its IUPAC name is [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate.

Molecular Properties

• Compound Name: [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
• PubChem CID: 123657151
• Molecular Formula: C30H28N8O4
• Molecular Weight: 564.61 g/mol
• Exact Mass: 564.22
• IUPAC Name: [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
• SMILES: CCOC(=O)ON=C(N)c1ccc(-c2cnc(N3CCOCC3)c3nc(C=Cc4ccc5ccccc5n4)cn23)cn1
• InChI: InChI=1S/C30H28N8O4/c1-2-41-30(39)42-36-27(31)25-12-8-21(17-32-25)26-18-33-28(37-13-15-40-16-14-37)29-35-23(19-38(26)29)11-10-22-9-7-20-5-3-4-6-24(20)34-22/h3-12,17-19H,2,13-16H2,1H3,(H2,31,36)
• InChIKey: KJVYYBNWJWLFOT-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 142.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.61
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate?

The IUPAC name of [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate (CID 123657151) is [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate.

What is the SMILES notation for [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate?

The canonical SMILES for [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate is CCOC(=O)ON=C(N)c1ccc(-c2cnc(N3CCOCC3)c3nc(C=Cc4ccc5ccccc5n4)cn23)cn1.

What is the InChIKey of [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate?

The InChIKey is KJVYYBNWJWLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O4/c1-2-41-30(39)42-36-27(31)25-12-8-21(17-32-25)26-18-33-28(37-13-15-40-16-14-37)29-35-23(19-38(26)29)11-10-22-9-7-20-5-3-4-6-24(20)34-22/h3-12,17-19H,2,13-16H2,1H3,(H2,31,36).

What are the key properties of [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate?

[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate has a molecular weight of 564.61 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate is sourced from PubChem (CID 123657151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).