16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C22H20N2O2 — CID 791001

IUPAC16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESO=C1c2ccccc2-c2c(NC3CCCCC3)c(=O)[nH]c3cccc1c23
InChIInChI=1S/C22H20N2O2/c25-21-15-10-5-4-9-14(15)19-18-16(21)11-6-12-17(18)24-22(26)20(19)23-13-7-2-1-3-8-13/h4-6,9-13,23H,1-3,7-8H2,(H,24,26)
InChIKeyAEQYYTRKXMSTBD-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.48
Rot. Bonds2

About 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 791001) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID791001
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESO=C1c2ccccc2-c2c(NC3CCCCC3)c(=O)[nH]c3cccc1c23
InChIInChI=1S/C22H20N2O2/c25-21-15-10-5-4-9-14(15)19-18-16(21)11-6-12-17(18)24-22(26)20(19)23-13-7-2-1-3-8-13/h4-6,9-13,23H,1-3,7-8H2,(H,24,26)
InChIKeyAEQYYTRKXMSTBD-UHFFFAOYSA-N
XLogP4.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 791001) is 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is O=C1c2ccccc2-c2c(NC3CCCCC3)c(=O)[nH]c3cccc1c23.
What is the InChIKey of 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is AEQYYTRKXMSTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21-15-10-5-4-9-14(15)19-18-16(21)11-6-12-17(18)24-22(26)20(19)23-13-7-2-1-3-8-13/h4-6,9-13,23H,1-3,7-8H2,(H,24,26).
What are the key properties of 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 344.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 791001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).