16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C19H17NO — CID 171358140

IUPAC16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCOc1ccc2ccnc3c2c1-c1ccccc1C3(C)C
InChIInChI=1S/C19H17NO/c1-19(2)14-7-5-4-6-13(14)17-15(21-3)9-8-12-10-11-20-18(19)16(12)17/h4-11H,1-3H3
InChIKeyFXEKBTTYHFZHNF-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.55
Rot. Bonds1

About 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 171358140) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID171358140
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCOc1ccc2ccnc3c2c1-c1ccccc1C3(C)C
InChIInChI=1S/C19H17NO/c1-19(2)14-7-5-4-6-13(14)17-15(21-3)9-8-12-10-11-20-18(19)16(12)17/h4-11H,1-3H3
InChIKeyFXEKBTTYHFZHNF-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 171358140) is 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is COc1ccc2ccnc3c2c1-c1ccccc1C3(C)C.
What is the InChIKey of 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is FXEKBTTYHFZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-19(2)14-7-5-4-6-13(14)17-15(21-3)9-8-12-10-11-20-18(19)16(12)17/h4-11H,1-3H3.
What are the key properties of 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 275.35 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 171358140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).