3-bromo-N-(2-methylphenyl)quinolin-4-amine

C16H13BrN2 — CID 10086922

IUPAC3-bromo-N-(2-methylphenyl)quinolin-4-amine
SMILESCc1ccccc1Nc1c(Br)cnc2ccccc12
InChIInChI=1S/C16H13BrN2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17/h2-10H,1H3,(H,18,19)
InChIKeyVFJKWZNWBJQBKP-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-N-(2-methylphenyl)quinolin-4-amine

3-bromo-N-(2-methylphenyl)quinolin-4-amine (PubChem CID 10086922) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-bromo-N-(2-methylphenyl)quinolin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methylphenyl)quinolin-4-amine
PubChem CID10086922
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name3-bromo-N-(2-methylphenyl)quinolin-4-amine
SMILESCc1ccccc1Nc1c(Br)cnc2ccccc12
InChIInChI=1S/C16H13BrN2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17/h2-10H,1H3,(H,18,19)
InChIKeyVFJKWZNWBJQBKP-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 3-bromo-N-(2-methylphenyl)quinolin-4-amine?
The IUPAC name of 3-bromo-N-(2-methylphenyl)quinolin-4-amine (CID 10086922) is 3-bromo-N-(2-methylphenyl)quinolin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-methylphenyl)quinolin-4-amine?
The canonical SMILES for 3-bromo-N-(2-methylphenyl)quinolin-4-amine is Cc1ccccc1Nc1c(Br)cnc2ccccc12.
What is the InChIKey of 3-bromo-N-(2-methylphenyl)quinolin-4-amine?
The InChIKey is VFJKWZNWBJQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17/h2-10H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-methylphenyl)quinolin-4-amine?
3-bromo-N-(2-methylphenyl)quinolin-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 3-bromo-N-(2-methylphenyl)quinolin-4-amine is sourced from PubChem (CID 10086922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).