N-(3-bromophenyl)-6-ethylquinolin-4-amine

C17H15BrN2 — CID 53264754

IUPACN-(3-bromophenyl)-6-ethylquinolin-4-amine
SMILESCCc1ccc2nccc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C17H15BrN2/c1-2-12-6-7-16-15(10-12)17(8-9-19-16)20-14-5-3-4-13(18)11-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyPFCBRKUHJXEZRJ-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.30
Rot. Bonds3

About N-(3-bromophenyl)-6-ethylquinolin-4-amine

N-(3-bromophenyl)-6-ethylquinolin-4-amine (PubChem CID 53264754) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-ethylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-ethylquinolin-4-amine
PubChem CID53264754
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC NameN-(3-bromophenyl)-6-ethylquinolin-4-amine
SMILESCCc1ccc2nccc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C17H15BrN2/c1-2-12-6-7-16-15(10-12)17(8-9-19-16)20-14-5-3-4-13(18)11-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyPFCBRKUHJXEZRJ-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-ethylquinolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-ethylquinolin-4-amine (CID 53264754) is N-(3-bromophenyl)-6-ethylquinolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-ethylquinolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-ethylquinolin-4-amine is CCc1ccc2nccc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-(3-bromophenyl)-6-ethylquinolin-4-amine?
The InChIKey is PFCBRKUHJXEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-2-12-6-7-16-15(10-12)17(8-9-19-16)20-14-5-3-4-13(18)11-14/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-6-ethylquinolin-4-amine?
N-(3-bromophenyl)-6-ethylquinolin-4-amine has a molecular weight of 327.23 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-ethylquinolin-4-amine is sourced from PubChem (CID 53264754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).