16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

C17H11BrN2O2 — CID 3127232

IUPAC16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCc1cc(Br)c2c3c(c(N)c(=O)[nH]c13)-c1ccccc1C2=O
InChIInChI=1S/C17H11BrN2O2/c1-7-6-10(18)12-13-11(14(19)17(22)20-15(7)13)8-4-2-3-5-9(8)16(12)21/h2-6H,19H2,1H3,(H,20,22)
InChIKeyQGIOCGHNMPHZJO-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.39
Rot. Bonds

About 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (PubChem CID 3127232) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.

Molecular Properties

Compound Name16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
PubChem CID3127232
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCc1cc(Br)c2c3c(c(N)c(=O)[nH]c13)-c1ccccc1C2=O
InChIInChI=1S/C17H11BrN2O2/c1-7-6-10(18)12-13-11(14(19)17(22)20-15(7)13)8-4-2-3-5-9(8)16(12)21/h2-6H,19H2,1H3,(H,20,22)
InChIKeyQGIOCGHNMPHZJO-UHFFFAOYSA-N
XLogP3.39
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The IUPAC name of 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (CID 3127232) is 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.
What is the SMILES notation for 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The canonical SMILES for 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is Cc1cc(Br)c2c3c(c(N)c(=O)[nH]c13)-c1ccccc1C2=O.
What is the InChIKey of 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The InChIKey is QGIOCGHNMPHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c1-7-6-10(18)12-13-11(14(19)17(22)20-15(7)13)8-4-2-3-5-9(8)16(12)21/h2-6H,19H2,1H3,(H,20,22).
What are the key properties of 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione has a molecular weight of 355.19 g/mol, XLogP of 3.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-10-bromo-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is sourced from PubChem (CID 3127232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).