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

C17H11NO2 — CID 667753

IUPAC14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)cc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H11NO2/c1-18-14-8-4-7-12-16(14)13(9-15(18)19)10-5-2-3-6-11(10)17(12)20/h2-9H,1H3
InChIKeyCZUBYXHLOKZSFL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.75
Rot. Bonds

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

14-methyl-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 667753) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 14-methyl-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 Name14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID667753
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)cc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H11NO2/c1-18-14-8-4-7-12-16(14)13(9-15(18)19)10-5-2-3-6-11(10)17(12)20/h2-9H,1H3
InChIKeyCZUBYXHLOKZSFL-UHFFFAOYSA-N
XLogP2.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-methyl-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

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-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 14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 667753) is 14-methyl-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 14-methyl-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 14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is Cn1c(=O)cc2c3c(cccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 14-methyl-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 CZUBYXHLOKZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c1-18-14-8-4-7-12-16(14)13(9-15(18)19)10-5-2-3-6-11(10)17(12)20/h2-9H,1H3.
What are the key properties of 14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
14-methyl-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 261.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-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 667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).