6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid

C15H15BrN2O2 — CID 66608139

IUPAC6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
SMILESCn1c2c(c3ccc(Br)cc31)C1CCC(C2)N1C(=O)O
InChIInChI=1S/C15H15BrN2O2/c1-17-12-6-8(16)2-4-10(12)14-11-5-3-9(7-13(14)17)18(11)15(19)20/h2,4,6,9,11H,3,5,7H2,1H3,(H,19,20)
InChIKeyRLLDJWNBFATTIO-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.68
Rot. Bonds

About 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid

6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid (PubChem CID 66608139) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid.

Molecular Properties

Compound Name6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
PubChem CID66608139
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
SMILESCn1c2c(c3ccc(Br)cc31)C1CCC(C2)N1C(=O)O
InChIInChI=1S/C15H15BrN2O2/c1-17-12-6-8(16)2-4-10(12)14-11-5-3-9(7-13(14)17)18(11)15(19)20/h2,4,6,9,11H,3,5,7H2,1H3,(H,19,20)
InChIKeyRLLDJWNBFATTIO-UHFFFAOYSA-N
XLogP3.68
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid 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 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid?
The IUPAC name of 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid (CID 66608139) is 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid.
What is the SMILES notation for 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid?
The canonical SMILES for 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid is Cn1c2c(c3ccc(Br)cc31)C1CCC(C2)N1C(=O)O.
What is the InChIKey of 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid?
The InChIKey is RLLDJWNBFATTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-17-12-6-8(16)2-4-10(12)14-11-5-3-9(7-13(14)17)18(11)15(19)20/h2,4,6,9,11H,3,5,7H2,1H3,(H,19,20).
What are the key properties of 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid?
6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid is sourced from PubChem (CID 66608139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).