5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine

C16H20BrFN2 — CID 107594008

IUPAC5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C16H20BrFN2/c1-5-7-19-16-10(4)12(6-2)20-15-9(3)8-11(18)14(17)13(15)16/h8H,5-7H2,1-4H3,(H,19,20)
InChIKeyAVKAPUNCGPRRSX-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.14
Rot. Bonds4

About 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine

5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine (PubChem CID 107594008) has the molecular formula C16H20BrFN2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
PubChem CID107594008
Molecular FormulaC16H20BrFN2
Molecular Weight339.25 g/mol
Exact Mass338.08
IUPAC Name5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C16H20BrFN2/c1-5-7-19-16-10(4)12(6-2)20-15-9(3)8-11(18)14(17)13(15)16/h8H,5-7H2,1-4H3,(H,19,20)
InChIKeyAVKAPUNCGPRRSX-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine with MolForge

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Related Compounds

2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
CID 107593976
5-bromo-N,3-diethyl-6-fluoro-2,8-dimethylquinolin-4-amine
CID 107593975
2-ethyl-8-methoxy-3,5-dimethyl-N-propylquinolin-4-amine
CID 63561107
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
6,8-dichloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63562406
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 63482944
6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
CID 107628851
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine (CID 107594008) is 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(CC)nc2c(C)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The InChIKey is AVKAPUNCGPRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2/c1-5-7-19-16-10(4)12(6-2)20-15-9(3)8-11(18)14(17)13(15)16/h8H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine has a molecular weight of 339.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).