1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone

C22H24N2O — CID 51041205

IUPAC1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone
SMILESCC(=O)n1c2c(c3ccccc31)CCN(C)CCc1ccccc1C2
InChIInChI=1S/C22H24N2O/c1-16(25)24-21-10-6-5-9-19(21)20-12-14-23(2)13-11-17-7-3-4-8-18(17)15-22(20)24/h3-10H,11-15H2,1-2H3
InChIKeyLNSBWPAEZYWMDD-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.92
Rot. Bonds

About 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone

1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone (PubChem CID 51041205) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone.

Molecular Properties

Compound Name1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone
PubChem CID51041205
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone
SMILESCC(=O)n1c2c(c3ccccc31)CCN(C)CCc1ccccc1C2
InChIInChI=1S/C22H24N2O/c1-16(25)24-21-10-6-5-9-19(21)20-12-14-23(2)13-11-17-7-3-4-8-18(17)15-22(20)24/h3-10H,11-15H2,1-2H3
InChIKeyLNSBWPAEZYWMDD-UHFFFAOYSA-N
XLogP3.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone?
The IUPAC name of 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone (CID 51041205) is 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone.
What is the SMILES notation for 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone?
The canonical SMILES for 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone is CC(=O)n1c2c(c3ccccc31)CCN(C)CCc1ccccc1C2.
What is the InChIKey of 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone?
The InChIKey is LNSBWPAEZYWMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16(25)24-21-10-6-5-9-19(21)20-12-14-23(2)13-11-17-7-3-4-8-18(17)15-22(20)24/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone?
1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone has a molecular weight of 332.45 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaen-21-yl)ethanone is sourced from PubChem (CID 51041205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).