15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C23H17NO — CID 167030941

IUPAC15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCc1ccc(-c2ncc(C)c3oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C23H17NO/c1-14-7-9-16(10-8-14)22-21-19-11-17-5-3-4-6-18(17)12-20(19)25-23(21)15(2)13-24-22/h3-13H,1-2H3
InChIKeyNKILFEPEVORTRI-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.42
Rot. Bonds1

About 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 167030941) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID167030941
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCc1ccc(-c2ncc(C)c3oc4cc5ccccc5cc4c23)cc1
InChIInChI=1S/C23H17NO/c1-14-7-9-16(10-8-14)22-21-19-11-17-5-3-4-6-18(17)12-20(19)25-23(21)15(2)13-24-22/h3-13H,1-2H3
InChIKeyNKILFEPEVORTRI-UHFFFAOYSA-N
XLogP6.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 167030941) is 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is Cc1ccc(-c2ncc(C)c3oc4cc5ccccc5cc4c23)cc1.
What is the InChIKey of 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is NKILFEPEVORTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-14-7-9-16(10-8-14)22-21-19-11-17-5-3-4-6-18(17)12-20(19)25-23(21)15(2)13-24-22/h3-13H,1-2H3.
What are the key properties of 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 323.40 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 167030941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).