5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine

C17H22BrFN2 — CID 107593976

IUPAC5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C17H22BrFN2/c1-6-7-20-12-9-13(17(3,4)5)21-16-10(2)8-11(19)15(18)14(12)16/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyMGGKPDPUXJONRG-UHFFFAOYSA-N
MW353.28 g/mol
LogP5.56
Rot. Bonds3

About 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine

5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine (PubChem CID 107593976) has the molecular formula C17H22BrFN2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
PubChem CID107593976
Molecular FormulaC17H22BrFN2
Molecular Weight353.28 g/mol
Exact Mass352.10
IUPAC Name5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C17H22BrFN2/c1-6-7-20-12-9-13(17(3,4)5)21-16-10(2)8-11(19)15(18)14(12)16/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyMGGKPDPUXJONRG-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.28
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
CID 63480755
5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 107594008
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 107594002
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine?
The IUPAC name of 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine (CID 107593976) is 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine is CCCNc1cc(C(C)(C)C)nc2c(C)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine?
The InChIKey is MGGKPDPUXJONRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrFN2/c1-6-7-20-12-9-13(17(3,4)5)21-16-10(2)8-11(19)15(18)14(12)16/h8-9H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine?
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine has a molecular weight of 353.28 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107593976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).