5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine

C16H18BrFN2 — CID 107593992

IUPAC5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(C2CCCC2)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C16H18BrFN2/c1-9-7-11(18)15(17)14-13(19-2)8-12(20-16(9)14)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,19,20)
InChIKeyUSTXGTDBXYMSAI-UHFFFAOYSA-N
MW337.24 g/mol
LogP5.14
Rot. Bonds2

About 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine

5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine (PubChem CID 107593992) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
PubChem CID107593992
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(C2CCCC2)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C16H18BrFN2/c1-9-7-11(18)15(17)14-13(19-2)8-12(20-16(9)14)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,19,20)
InChIKeyUSTXGTDBXYMSAI-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854971
(2-cyclopentyl-5,8-difluoro-6-methylquinolin-4-yl)hydrazine
CID 103587418
8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
CID 63357923
6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
CID 63357835
5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
CID 102854761
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
(5-chloro-2-cyclopentyl-8-methylquinolin-4-yl)hydrazine
CID 113390603
5-bromo-2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357753
6-bromo-2-cyclopentyl-N-methylquinolin-4-amine
CID 113390564
(5-bromo-6-fluoro-8-methyl-2-phenylquinolin-4-yl)hydrazine
CID 107594078
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
(2-cyclopentyl-7-fluoro-6-methylquinolin-4-yl)hydrazine
CID 113390617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine?
The IUPAC name of 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine (CID 107593992) is 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine is CNc1cc(C2CCCC2)nc2c(C)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine?
The InChIKey is USTXGTDBXYMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-9-7-11(18)15(17)14-13(19-2)8-12(20-16(9)14)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine?
5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine has a molecular weight of 337.24 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine is sourced from PubChem (CID 107593992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).