(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride

C18H18ClNO2 — CID 171344736

IUPAC(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2;/h3-8,10,14,19H,9H2,1-2H3;1H/t14-;/m1./s1
InChIKeyQKPDGEISRCDAHR-PFEQFJNWSA-N
MW315.80 g/mol
LogP3.96
Rot. Bonds2

About (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride

(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride (PubChem CID 171344736) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride.

Molecular Properties

Compound Name(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride
PubChem CID171344736
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2;/h3-8,10,14,19H,9H2,1-2H3;1H/t14-;/m1./s1
InChIKeyQKPDGEISRCDAHR-PFEQFJNWSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;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 (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride?
The IUPAC name of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride (CID 171344736) is (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride.
What is the SMILES notation for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride?
The canonical SMILES for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride is COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2.Cl.
What is the InChIKey of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride?
The InChIKey is QKPDGEISRCDAHR-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H17NO2.ClH/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2;/h3-8,10,14,19H,9H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride?
(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride is sourced from PubChem (CID 171344736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).