N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine

C18H17BrN2O — CID 1187199

IUPACN-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C18H17BrN2O/c1-3-22-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(19)5-7-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyMZVSIBXXRHWCLZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.45
Rot. Bonds4

About N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine

N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine (PubChem CID 1187199) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
PubChem CID1187199
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C18H17BrN2O/c1-3-22-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(19)5-7-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyMZVSIBXXRHWCLZ-UHFFFAOYSA-N
XLogP5.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine (CID 1187199) is N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The InChIKey is MZVSIBXXRHWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-3-22-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(19)5-7-14/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine has a molecular weight of 357.25 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 1187199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).