6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine

C13H15ClN2 — CID 63553714

IUPAC6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine
SMILESCCc1nc2c(C)cc(Cl)cc2c(N)c1C
InChIInChI=1S/C13H15ClN2/c1-4-11-8(3)12(15)10-6-9(14)5-7(2)13(10)16-11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyFETSKHWBYIIOGN-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.65
Rot. Bonds1

About 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine

6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine (PubChem CID 63553714) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine
PubChem CID63553714
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine
SMILESCCc1nc2c(C)cc(Cl)cc2c(N)c1C
InChIInChI=1S/C13H15ClN2/c1-4-11-8(3)12(15)10-6-9(14)5-7(2)13(10)16-11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyFETSKHWBYIIOGN-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine (CID 63553714) is 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine is CCc1nc2c(C)cc(Cl)cc2c(N)c1C.
What is the InChIKey of 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine?
The InChIKey is FETSKHWBYIIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-4-11-8(3)12(15)10-6-9(14)5-7(2)13(10)16-11/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine?
6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine has a molecular weight of 234.73 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3,8-dimethylquinolin-4-amine is sourced from PubChem (CID 63553714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).