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

C17H15BrN2O — CID 825305

IUPACN-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyLCYCNNMILXDYJX-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.06
Rot. Bonds3

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

N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine (PubChem CID 825305) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine
PubChem CID825305
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyLCYCNNMILXDYJX-UHFFFAOYSA-N
XLogP5.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.06
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-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine (CID 825305) is N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is LCYCNNMILXDYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine?
N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 343.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 825305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).