2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine

C15H11BrClN3 — CID 103477533

IUPAC2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Br)ccc2c1
InChIInChI=1S/C15H11BrClN3/c16-15-11(17)2-1-3-13(15)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20)
InChIKeyHCMSQICRRBJZPK-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.98
Rot. Bonds2

About 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine

2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine (PubChem CID 103477533) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
PubChem CID103477533
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Br)ccc2c1
InChIInChI=1S/C15H11BrClN3/c16-15-11(17)2-1-3-13(15)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20)
InChIKeyHCMSQICRRBJZPK-UHFFFAOYSA-N
XLogP4.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
CID 43450981
2-N-(3-bromophenyl)quinoline-2,6-diamine
CID 43450961
2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
CID 103477453
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
2-N-(4-bromo-3,5-dimethylphenyl)quinoline-2,6-diamine
CID 107571429
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
2-N-(3-fluorophenyl)quinoline-2,6-diamine
CID 43450955
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
CID 103481973
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
5-N-(2-bromo-3-chlorophenyl)pyridine-3,5-diamine
CID 103481979

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine (CID 103477533) is 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine is Nc1ccc2nc(Nc3cccc(Cl)c3Br)ccc2c1.
What is the InChIKey of 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine?
The InChIKey is HCMSQICRRBJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-15-11(17)2-1-3-13(15)20-14-7-4-9-8-10(18)5-6-12(9)19-14/h1-8H,18H2,(H,19,20).
What are the key properties of 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine?
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine has a molecular weight of 348.63 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine is sourced from PubChem (CID 103477533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).