14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol

C16H20N2O — CID 90003117

IUPAC14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol
SMILESOC1=CC2=CC=CC3C4CNNCC4CC3C2C=C1
InChIInChI=1S/C16H20N2O/c19-12-4-5-13-10(6-12)2-1-3-14-15(13)7-11-8-17-18-9-16(11)14/h1-6,11,13-19H,7-9H2
InChIKeyGDXFYISRMSERQC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds

About 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol

14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol (PubChem CID 90003117) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol.

Molecular Properties

Compound Name14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol
PubChem CID90003117
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol
SMILESOC1=CC2=CC=CC3C4CNNCC4CC3C2C=C1
InChIInChI=1S/C16H20N2O/c19-12-4-5-13-10(6-12)2-1-3-14-15(13)7-11-8-17-18-9-16(11)14/h1-6,11,13-19H,7-9H2
InChIKeyGDXFYISRMSERQC-UHFFFAOYSA-N
XLogP2.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol?
The IUPAC name of 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol (CID 90003117) is 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol.
What is the SMILES notation for 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol?
The canonical SMILES for 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol is OC1=CC2=CC=CC3C4CNNCC4CC3C2C=C1.
What is the InChIKey of 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol?
The InChIKey is GDXFYISRMSERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-12-4-5-13-10(6-12)2-1-3-14-15(13)7-11-8-17-18-9-16(11)14/h1-6,11,13-19H,7-9H2.
What are the key properties of 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol?
14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol has a molecular weight of 256.35 g/mol, XLogP of 2.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-diazatetracyclo[9.7.0.02,7.012,17]octadeca-3,5,7,9-tetraen-5-ol is sourced from PubChem (CID 90003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).