1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one

C24H26N2O — CID 2810176

IUPAC1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one
SMILESCC1(C)C2=CC3(C)N(CC(=O)N2c2ccccc21)c1ccccc1C3(C)C
InChIInChI=1S/C24H26N2O/c1-22(2)16-10-6-9-13-19(16)26-20(22)14-24(5)23(3,4)17-11-7-8-12-18(17)25(24)15-21(26)27/h6-14H,15H2,1-5H3
InChIKeyANWQAWSFCDMCDA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.76
Rot. Bonds

About 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one

1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one (PubChem CID 2810176) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one.

Molecular Properties

Compound Name1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one
PubChem CID2810176
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one
SMILESCC1(C)C2=CC3(C)N(CC(=O)N2c2ccccc21)c1ccccc1C3(C)C
InChIInChI=1S/C24H26N2O/c1-22(2)16-10-6-9-13-19(16)26-20(22)14-24(5)23(3,4)17-11-7-8-12-18(17)25(24)15-21(26)27/h6-14H,15H2,1-5H3
InChIKeyANWQAWSFCDMCDA-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one with MolForge

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Related Compounds

(1S)-1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one
CID 6975723
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9,9,10-trimethylacridine
CID 610451
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
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Frequently Asked Questions

What is the IUPAC name of 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one?
The IUPAC name of 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one (CID 2810176) is 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one.
What is the SMILES notation for 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one?
The canonical SMILES for 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one is CC1(C)C2=CC3(C)N(CC(=O)N2c2ccccc21)c1ccccc1C3(C)C.
What is the InChIKey of 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one?
The InChIKey is ANWQAWSFCDMCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-22(2)16-10-6-9-13-19(16)26-20(22)14-24(5)23(3,4)17-11-7-8-12-18(17)25(24)15-21(26)27/h6-14H,15H2,1-5H3.
What are the key properties of 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one?
1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one has a molecular weight of 358.49 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-2,5,7,9,15,17,19-heptaen-12-one is sourced from PubChem (CID 2810176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).