6-bromo-N-ethyl-8-methylquinolin-4-amine

C12H13BrN2 — CID 62190993

IUPAC6-bromo-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1ccnc2c(C)cc(Br)cc12
InChIInChI=1S/C12H13BrN2/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyRUYHYANUTRBFLO-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.74
Rot. Bonds2

About 6-bromo-N-ethyl-8-methylquinolin-4-amine

6-bromo-N-ethyl-8-methylquinolin-4-amine (PubChem CID 62190993) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-bromo-N-ethyl-8-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-8-methylquinolin-4-amine
PubChem CID62190993
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name6-bromo-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1ccnc2c(C)cc(Br)cc12
InChIInChI=1S/C12H13BrN2/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyRUYHYANUTRBFLO-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-8-methylquinolin-4-amine?
The IUPAC name of 6-bromo-N-ethyl-8-methylquinolin-4-amine (CID 62190993) is 6-bromo-N-ethyl-8-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-8-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-8-methylquinolin-4-amine is CCNc1ccnc2c(C)cc(Br)cc12.
What is the InChIKey of 6-bromo-N-ethyl-8-methylquinolin-4-amine?
The InChIKey is RUYHYANUTRBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 6-bromo-N-ethyl-8-methylquinolin-4-amine?
6-bromo-N-ethyl-8-methylquinolin-4-amine has a molecular weight of 265.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-8-methylquinolin-4-amine is sourced from PubChem (CID 62190993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).