14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride

C15H18ClN3O — CID 3080187

IUPAC14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride
SMILESCOc1ccc2c(c1)cc1n2CCN2CCCN=C12.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-19-12-3-4-13-11(9-12)10-14-15-16-5-2-6-17(15)7-8-18(13)14;/h3-4,9-10H,2,5-8H2,1H3;1H
InChIKeyFAXLXEBWCQWGMF-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.54
Rot. Bonds1

About 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride

14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride (PubChem CID 3080187) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride.

Molecular Properties

Compound Name14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride
PubChem CID3080187
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride
SMILESCOc1ccc2c(c1)cc1n2CCN2CCCN=C12.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-19-12-3-4-13-11(9-12)10-14-15-16-5-2-6-17(15)7-8-18(13)14;/h3-4,9-10H,2,5-8H2,1H3;1H
InChIKeyFAXLXEBWCQWGMF-UHFFFAOYSA-N
XLogP2.54
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride?
The IUPAC name of 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride (CID 3080187) is 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride.
What is the SMILES notation for 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride?
The canonical SMILES for 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride is COc1ccc2c(c1)cc1n2CCN2CCCN=C12.Cl.
What is the InChIKey of 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride?
The InChIKey is FAXLXEBWCQWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-19-12-3-4-13-11(9-12)10-14-15-16-5-2-6-17(15)7-8-18(13)14;/h3-4,9-10H,2,5-8H2,1H3;1H.
What are the key properties of 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride?
14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride is sourced from PubChem (CID 3080187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).