15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene

C17H16N2O — CID 18378699

IUPAC15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene
SMILESCOc1ccc2c(cc3n2CCCc2ccccc2-3)n1
InChIInChI=1S/C17H16N2O/c1-20-17-9-8-15-14(18-17)11-16-13-7-3-2-5-12(13)6-4-10-19(15)16/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyIRWUJTVAKSSBQL-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.66
Rot. Bonds1

About 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene

15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene (PubChem CID 18378699) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene.

Molecular Properties

Compound Name15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene
PubChem CID18378699
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene
SMILESCOc1ccc2c(cc3n2CCCc2ccccc2-3)n1
InChIInChI=1S/C17H16N2O/c1-20-17-9-8-15-14(18-17)11-16-13-7-3-2-5-12(13)6-4-10-19(15)16/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyIRWUJTVAKSSBQL-UHFFFAOYSA-N
XLogP3.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene?
The IUPAC name of 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene (CID 18378699) is 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene.
What is the SMILES notation for 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene?
The canonical SMILES for 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene is COc1ccc2c(cc3n2CCCc2ccccc2-3)n1.
What is the InChIKey of 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene?
The InChIKey is IRWUJTVAKSSBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-17-9-8-15-14(18-17)11-16-13-7-3-2-5-12(13)6-4-10-19(15)16/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene?
15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene has a molecular weight of 264.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methoxy-11,16-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene is sourced from PubChem (CID 18378699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).