4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene

C19H27NO — CID 67946215

IUPAC4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C13CCCCC1(CCCN3C)CC2
InChIInChI=1S/C19H27NO/c1-20-13-5-10-18-9-3-4-11-19(18,20)17-14-16(21-2)7-6-15(17)8-12-18/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyWBNHPTPIIQHOLS-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.12
Rot. Bonds1

About 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene

4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene (PubChem CID 67946215) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
PubChem CID67946215
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C13CCCCC1(CCCN3C)CC2
InChIInChI=1S/C19H27NO/c1-20-13-5-10-18-9-3-4-11-19(18,20)17-14-16(21-2)7-6-15(17)8-12-18/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyWBNHPTPIIQHOLS-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene (CID 67946215) is 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene is COc1ccc2c(c1)C13CCCCC1(CCCN3C)CC2.
What is the InChIKey of 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene?
The InChIKey is WBNHPTPIIQHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-20-13-5-10-18-9-3-4-11-19(18,20)17-14-16(21-2)7-6-15(17)8-12-18/h6-7,14H,3-5,8-13H2,1-2H3.
What are the key properties of 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene?
4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene has a molecular weight of 285.43 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene is sourced from PubChem (CID 67946215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).