5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine

C15H15BrF2N2 — CID 102854971

IUPAC5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C2CCCC2)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C15H15BrF2N2/c1-19-12-7-11(8-4-2-3-5-8)20-15-10(18)6-9(17)14(16)13(12)15/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyMUKSGUOSJMAWAB-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.97
Rot. Bonds2

About 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine

5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine (PubChem CID 102854971) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
PubChem CID102854971
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C2CCCC2)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C15H15BrF2N2/c1-19-12-7-11(8-4-2-3-5-8)20-15-10(18)6-9(17)14(16)13(12)15/h6-8H,2-5H2,1H3,(H,19,20)
InChIKeyMUKSGUOSJMAWAB-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
CID 107593992
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
(2-cyclopentyl-5,8-difluoro-6-methylquinolin-4-yl)hydrazine
CID 103587418
6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
CID 63357835
8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
CID 63357923
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
5-bromo-2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357753
6-bromo-2-cyclopentyl-N-methylquinolin-4-amine
CID 113390564
(2-cyclopentyl-7,8-difluoroquinolin-4-yl)hydrazine
CID 113390612
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 102854998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine?
The IUPAC name of 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine (CID 102854971) is 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine is CNc1cc(C2CCCC2)nc2c(F)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine?
The InChIKey is MUKSGUOSJMAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-19-12-7-11(8-4-2-3-5-8)20-15-10(18)6-9(17)14(16)13(12)15/h6-8H,2-5H2,1H3,(H,19,20).
What are the key properties of 5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine?
5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine has a molecular weight of 341.20 g/mol, XLogP of 4.97, 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-6,8-difluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 102854971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).