5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine

C15H17BrF2N2 — CID 102854999

IUPAC5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C15H17BrF2N2/c1-4-19-12-6-9(5-8(2)3)20-15-11(18)7-10(17)14(16)13(12)15/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyGSSNINPRRRBYBL-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.91
Rot. Bonds4

About 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine

5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine (PubChem CID 102854999) has the molecular formula C15H17BrF2N2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
PubChem CID102854999
Molecular FormulaC15H17BrF2N2
Molecular Weight343.22 g/mol
Exact Mass342.05
IUPAC Name5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C15H17BrF2N2/c1-4-19-12-6-9(5-8(2)3)20-15-11(18)7-10(17)14(16)13(12)15/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyGSSNINPRRRBYBL-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine with MolForge

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Related Compounds

N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
CID 103587375
5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
CID 63482403
N-ethyl-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
CID 103996154
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
CID 102855129
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine (CID 102854999) is 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine is CCNc1cc(CC(C)C)nc2c(F)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine?
The InChIKey is GSSNINPRRRBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N2/c1-4-19-12-6-9(5-8(2)3)20-15-11(18)7-10(17)14(16)13(12)15/h6-8H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine?
5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine has a molecular weight of 343.22 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 102854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).