14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one

C19H11N3O — CID 91664020

IUPAC14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one
SMILESO=c1nc2c(n3ccnc13)=Cc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H
InChIKeySFZNDQGUHVYHPD-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.28
Rot. Bonds1

About 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one

14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one (PubChem CID 91664020) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one.

Molecular Properties

Compound Name14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one
PubChem CID91664020
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one
SMILESO=c1nc2c(n3ccnc13)=Cc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H
InChIKeySFZNDQGUHVYHPD-UHFFFAOYSA-N
XLogP2.28
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one?
The IUPAC name of 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one (CID 91664020) is 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one.
What is the SMILES notation for 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one?
The canonical SMILES for 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one is O=c1nc2c(n3ccnc13)=Cc1c(-c3ccccc3)cccc1-2.
What is the InChIKey of 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one?
The InChIKey is SFZNDQGUHVYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H.
What are the key properties of 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one?
14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one has a molecular weight of 297.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,5,8,10,12,14-heptaen-7-one is sourced from PubChem (CID 91664020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).