(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride

C17H24ClNO — CID 11565569

IUPAC(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3.Cl
InChIInChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m0./s1
InChIKeyIBNAJETZECTKHN-DYWKTHLTSA-N
MW293.84 g/mol
LogP3.46
Rot. Bonds1

About (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride

(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride (PubChem CID 11565569) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride.

Molecular Properties

Compound Name(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
PubChem CID11565569
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3.Cl
InChIInChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m0./s1
InChIKeyIBNAJETZECTKHN-DYWKTHLTSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride?
The IUPAC name of (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride (CID 11565569) is (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride.
What is the SMILES notation for (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride?
The canonical SMILES for (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride is COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3.Cl.
What is the InChIKey of (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride?
The InChIKey is IBNAJETZECTKHN-DYWKTHLTSA-N. The full InChI is InChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m0./s1.
What are the key properties of (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride?
(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride is sourced from PubChem (CID 11565569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).