24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C38H21N5O — CID 147282573

About 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 147282573) has the molecular formula C38H21N5O and a molecular weight of 563.62 g/mol. Its IUPAC name is 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 147282573
• Molecular Formula: C38H21N5O
• Molecular Weight: 563.62 g/mol
• Exact Mass: 563.17
• IUPAC Name: 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2nc3ccc4nccnc4c3nc2-n2c3ccccc3c3c4ccccc4c4c5ccccc5oc4c32)cc1
• InChI: InChI=1S/C38H21N5O/c1-2-10-22(11-3-1)33-38(42-35-28(41-33)19-18-27-34(35)40-21-20-39-27)43-29-16-8-6-14-25(29)31-23-12-4-5-13-24(23)32-26-15-7-9-17-30(26)44-37(32)36(31)43/h1-21H
• InChIKey: CSPFIQXGZUVMJL-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.62
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 147282573) is 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2nc3ccc4nccnc4c3nc2-n2c3ccccc3c3c4ccccc4c4c5ccccc5oc4c32)cc1.

What is the InChIKey of 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is CSPFIQXGZUVMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N5O/c1-2-10-22(11-3-1)33-38(42-35-28(41-33)19-18-27-34(35)40-21-20-39-27)43-29-16-8-6-14-25(29)31-23-12-4-5-13-24(23)32-26-15-7-9-17-30(26)44-37(32)36(31)43/h1-21H.

What are the key properties of 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 563.62 g/mol, XLogP of 9.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(3-phenylpyrazino[2,3-f]quinoxalin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 147282573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).