2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline

C17H11BrN2O2 — CID 46211115

IUPAC2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline
SMILESCOc1[nH]c2ccc(Br)cc2c2c3ccccc3c(N=O)c1-2
InChIInChI=1S/C17H11BrN2O2/c1-22-17-15-14(12-8-9(18)6-7-13(12)19-17)10-4-2-3-5-11(10)16(15)20-21/h2-8,19H,1H3
InChIKeyANSREQOTFDWTLF-UHFFFAOYSA-N
MW355.19 g/mol
LogP5.59
Rot. Bonds2

About 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline

2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline (PubChem CID 46211115) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline
PubChem CID46211115
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline
SMILESCOc1[nH]c2ccc(Br)cc2c2c3ccccc3c(N=O)c1-2
InChIInChI=1S/C17H11BrN2O2/c1-22-17-15-14(12-8-9(18)6-7-13(12)19-17)10-4-2-3-5-11(10)16(15)20-21/h2-8,19H,1H3
InChIKeyANSREQOTFDWTLF-UHFFFAOYSA-N
XLogP5.59
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.19
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline 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 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline?
The IUPAC name of 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline (CID 46211115) is 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline.
What is the SMILES notation for 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline?
The canonical SMILES for 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline is COc1[nH]c2ccc(Br)cc2c2c3ccccc3c(N=O)c1-2.
What is the InChIKey of 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline?
The InChIKey is ANSREQOTFDWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c1-22-17-15-14(12-8-9(18)6-7-13(12)19-17)10-4-2-3-5-11(10)16(15)20-21/h2-8,19H,1H3.
What are the key properties of 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline?
2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline has a molecular weight of 355.19 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline is sourced from PubChem (CID 46211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).