4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one

C23H16N2O — CID 134937423

IUPAC4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one
SMILESCc1ccc2c3c1CC(c1ccccc1)=NN=C3c1ccccc1C2=O
InChIInChI=1S/C23H16N2O/c1-14-11-12-18-21-19(14)13-20(15-7-3-2-4-8-15)24-25-22(21)16-9-5-6-10-17(16)23(18)26/h2-12H,13H2,1H3
InChIKeyYBOJOWQRBJQDPX-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.34
Rot. Bonds1

About 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one

4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one (PubChem CID 134937423) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one.

Molecular Properties

Compound Name4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one
PubChem CID134937423
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one
SMILESCc1ccc2c3c1CC(c1ccccc1)=NN=C3c1ccccc1C2=O
InChIInChI=1S/C23H16N2O/c1-14-11-12-18-21-19(14)13-20(15-7-3-2-4-8-15)24-25-22(21)16-9-5-6-10-17(16)23(18)26/h2-12H,13H2,1H3
InChIKeyYBOJOWQRBJQDPX-UHFFFAOYSA-N
XLogP4.34
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one with MolForge

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CID 71312376

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one?
The IUPAC name of 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one (CID 134937423) is 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one.
What is the SMILES notation for 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one?
The canonical SMILES for 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one is Cc1ccc2c3c1CC(c1ccccc1)=NN=C3c1ccccc1C2=O.
What is the InChIKey of 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one?
The InChIKey is YBOJOWQRBJQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-14-11-12-18-21-19(14)13-20(15-7-3-2-4-8-15)24-25-22(21)16-9-5-6-10-17(16)23(18)26/h2-12H,13H2,1H3.
What are the key properties of 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one?
4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one has a molecular weight of 336.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenyl-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,7,9,11,13,15-octaen-17-one is sourced from PubChem (CID 134937423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).