15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene

C23H25NO — CID 67423232

IUPAC15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene
SMILESCOc1ccc2c(c1)CCC13CN(Cc4ccccc4)CC1CC=C23
InChIInChI=1S/C23H25NO/c1-25-20-8-9-21-18(13-20)11-12-23-16-24(14-17-5-3-2-4-6-17)15-19(23)7-10-22(21)23/h2-6,8-10,13,19H,7,11-12,14-16H2,1H3
InChIKeyPMMSZFHKMOLGIB-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.55
Rot. Bonds3

About 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene

15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene (PubChem CID 67423232) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene
PubChem CID67423232
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene
SMILESCOc1ccc2c(c1)CCC13CN(Cc4ccccc4)CC1CC=C23
InChIInChI=1S/C23H25NO/c1-25-20-8-9-21-18(13-20)11-12-23-16-24(14-17-5-3-2-4-6-17)15-19(23)7-10-22(21)23/h2-6,8-10,13,19H,7,11-12,14-16H2,1H3
InChIKeyPMMSZFHKMOLGIB-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene with MolForge

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Related Compounds

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(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene?
The IUPAC name of 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene (CID 67423232) is 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene.
What is the SMILES notation for 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene is COc1ccc2c(c1)CCC13CN(Cc4ccccc4)CC1CC=C23.
What is the InChIKey of 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene?
The InChIKey is PMMSZFHKMOLGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-25-20-8-9-21-18(13-20)11-12-23-16-24(14-17-5-3-2-4-6-17)15-19(23)7-10-22(21)23/h2-6,8-10,13,19H,7,11-12,14-16H2,1H3.
What are the key properties of 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene?
15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene has a molecular weight of 331.46 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-6-methoxy-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7,10-tetraene is sourced from PubChem (CID 67423232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).