6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine

C12H12BrClN2 — CID 63560921

IUPAC6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
SMILESCCc1nc2c(Cl)cc(Br)cc2c(N)c1C
InChIInChI=1S/C12H12BrClN2/c1-3-10-6(2)11(15)8-4-7(13)5-9(14)12(8)16-10/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyAQSPUMCIPMQGDU-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.10
Rot. Bonds1

About 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine

6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine (PubChem CID 63560921) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
PubChem CID63560921
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
SMILESCCc1nc2c(Cl)cc(Br)cc2c(N)c1C
InChIInChI=1S/C12H12BrClN2/c1-3-10-6(2)11(15)8-4-7(13)5-9(14)12(8)16-10/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyAQSPUMCIPMQGDU-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine?
The IUPAC name of 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine (CID 63560921) is 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine is CCc1nc2c(Cl)cc(Br)cc2c(N)c1C.
What is the InChIKey of 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine?
The InChIKey is AQSPUMCIPMQGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c1-3-10-6(2)11(15)8-4-7(13)5-9(14)12(8)16-10/h4-5H,3H2,1-2H3,(H2,15,16).
What are the key properties of 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine?
6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine has a molecular weight of 299.60 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine is sourced from PubChem (CID 63560921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).