N-(3-bromophenyl)-2-methylquinolin-4-amine

C16H13BrN2 — CID 798200

IUPACN-(3-bromophenyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C16H13BrN2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13/h2-10H,1H3,(H,18,19)
InChIKeyMHXGKAPEFLBBDT-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.05
Rot. Bonds2

About N-(3-bromophenyl)-2-methylquinolin-4-amine

N-(3-bromophenyl)-2-methylquinolin-4-amine (PubChem CID 798200) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methylquinolin-4-amine
PubChem CID798200
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC NameN-(3-bromophenyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C16H13BrN2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13/h2-10H,1H3,(H,18,19)
InChIKeyMHXGKAPEFLBBDT-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-2-methylquinolin-4-amine (CID 798200) is N-(3-bromophenyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-2-methylquinolin-4-amine is Cc1cc(Nc2cccc(Br)c2)c2ccccc2n1.
What is the InChIKey of N-(3-bromophenyl)-2-methylquinolin-4-amine?
The InChIKey is MHXGKAPEFLBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13/h2-10H,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-methylquinolin-4-amine?
N-(3-bromophenyl)-2-methylquinolin-4-amine has a molecular weight of 313.20 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 798200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).