15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C21H16N2O — CID 122469470

About 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122469470) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 122469470
• Molecular Formula: C21H16N2O
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.13
• IUPAC Name: 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: CCc1nc2ccc(-c3ccccc3)c3c2n1-c1ccccc1O3
• InChI: InChI=1S/C21H16N2O/c1-2-19-22-16-13-12-15(14-8-4-3-5-9-14)21-20(16)23(19)17-10-6-7-11-18(17)24-21/h3-13H,2H2,1H3
• InChIKey: TVGQUEXLQPODRL-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122469470) is 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CCc1nc2ccc(-c3ccccc3)c3c2n1-c1ccccc1O3.

What is the InChIKey of 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is TVGQUEXLQPODRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-19-22-16-13-12-15(14-8-4-3-5-9-14)21-20(16)23(19)17-10-6-7-11-18(17)24-21/h3-13H,2H2,1H3.

What are the key properties of 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 312.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-10-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).