3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene

C19H15NO — CID 14905238

IUPAC3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
SMILESCOc1cccc2c1-c1ccccc1Nc1ccccc1-2
InChIInChI=1S/C19H15NO/c1-21-18-12-6-9-14-13-7-2-4-10-16(13)20-17-11-5-3-8-15(17)19(14)18/h2-12,20H,1H3
InChIKeyVMIDOXWKLVHKFU-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.09
Rot. Bonds1

About 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene

3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene (PubChem CID 14905238) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
PubChem CID14905238
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
SMILESCOc1cccc2c1-c1ccccc1Nc1ccccc1-2
InChIInChI=1S/C19H15NO/c1-21-18-12-6-9-14-13-7-2-4-10-16(13)20-17-11-5-3-8-15(17)19(14)18/h2-12,20H,1H3
InChIKeyVMIDOXWKLVHKFU-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The IUPAC name of 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene (CID 14905238) is 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene.
What is the SMILES notation for 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The canonical SMILES for 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene is COc1cccc2c1-c1ccccc1Nc1ccccc1-2.
What is the InChIKey of 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The InChIKey is VMIDOXWKLVHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-21-18-12-6-9-14-13-7-2-4-10-16(13)20-17-11-5-3-8-15(17)19(14)18/h2-12,20H,1H3.
What are the key properties of 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene has a molecular weight of 273.34 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene is sourced from PubChem (CID 14905238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).