4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride

C15H23ClN4O — CID 68871501

IUPAC4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
SMILESCCCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-5-6-17-8-11(2)12(3)14-15(17)19-10-18(20-4)9-13(19)7-16-14;/h7,9H,5-6,8,10H2,1-4H3;1H
InChIKeyQHYJQIFBULBQBV-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.70
Rot. Bonds3

About 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride

4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride (PubChem CID 68871501) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride.

Molecular Properties

Compound Name4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
PubChem CID68871501
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride
SMILESCCCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-5-6-17-8-11(2)12(3)14-15(17)19-10-18(20-4)9-13(19)7-16-14;/h7,9H,5-6,8,10H2,1-4H3;1H
InChIKeyQHYJQIFBULBQBV-UHFFFAOYSA-N
XLogP2.70
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The IUPAC name of 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride (CID 68871501) is 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride.
What is the SMILES notation for 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The canonical SMILES for 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride is CCCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2.Cl.
What is the InChIKey of 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
The InChIKey is QHYJQIFBULBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.ClH/c1-5-6-17-8-11(2)12(3)14-15(17)19-10-18(20-4)9-13(19)7-16-14;/h7,9H,5-6,8,10H2,1-4H3;1H.
What are the key properties of 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride?
4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10,11-dimethyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene;hydrochloride is sourced from PubChem (CID 68871501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).