6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol

C18H24N2O2 — CID 627132

IUPAC6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol
SMILESCOc1cccc2c1NC1CCC3(O)CCCN4CCC21C43
InChIInChI=1S/C18H24N2O2/c1-22-13-5-2-4-12-15(13)19-14-6-8-17(21)7-3-10-20-11-9-18(12,14)16(17)20/h2,4-5,14,16,19,21H,3,6-11H2,1H3
InChIKeyRNUOEGXSLXYKEU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.12
Rot. Bonds1

About 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol

6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol (PubChem CID 627132) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol.

Molecular Properties

Compound Name6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol
PubChem CID627132
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol
SMILESCOc1cccc2c1NC1CCC3(O)CCCN4CCC21C43
InChIInChI=1S/C18H24N2O2/c1-22-13-5-2-4-12-15(13)19-14-6-8-17(21)7-3-10-20-11-9-18(12,14)16(17)20/h2,4-5,14,16,19,21H,3,6-11H2,1H3
InChIKeyRNUOEGXSLXYKEU-UHFFFAOYSA-N
XLogP2.12
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol?
The IUPAC name of 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol (CID 627132) is 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol.
What is the SMILES notation for 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol?
The canonical SMILES for 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol is COc1cccc2c1NC1CCC3(O)CCCN4CCC21C43.
What is the InChIKey of 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol?
The InChIKey is RNUOEGXSLXYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-13-5-2-4-12-15(13)19-14-6-8-17(21)7-3-10-20-11-9-18(12,14)16(17)20/h2,4-5,14,16,19,21H,3,6-11H2,1H3.
What are the key properties of 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol?
6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol has a molecular weight of 300.40 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-ol is sourced from PubChem (CID 627132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).