5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine

C15H18BrFN2 — CID 63524550

IUPAC5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(F)ccc(Br)c2cc1CCC
InChIInChI=1S/C15H18BrFN2/c1-3-5-10-9-11-12(16)6-7-13(17)14(11)19-15(10)18-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWJXJWNLRLXFKIS-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.91
Rot. Bonds5

About 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine

5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine (PubChem CID 63524550) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine.

Molecular Properties

Compound Name5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
PubChem CID63524550
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(F)ccc(Br)c2cc1CCC
InChIInChI=1S/C15H18BrFN2/c1-3-5-10-9-11-12(16)6-7-13(17)14(11)19-15(10)18-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWJXJWNLRLXFKIS-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-8-fluoro-3-propylquinolin-2-yl)hydrazine
CID 63233439
8-fluoro-5-nitro-N,3-dipropylquinolin-2-amine
CID 63524176
5-bromo-2-chloro-8-fluoro-3-propylquinoline
CID 63530205
8-fluoro-6-methyl-N,3-dipropylquinolin-2-amine
CID 63524705
N-ethyl-5-fluoro-8-methyl-3-propylquinolin-2-amine
CID 63523830
5-bromo-3-ethyl-8-methoxy-N-propylquinolin-2-amine
CID 63525615
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
N,3-dipropylbenzo[h]quinolin-2-amine
CID 63526295
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
CID 55223167
N-ethyl-5,8-difluoro-6-methyl-3-propylquinolin-2-amine
CID 103587506
3-ethyl-6,8-difluoro-N-propylquinolin-2-amine
CID 63525418
6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
CID 55224113

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine?
The IUPAC name of 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine (CID 63524550) is 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine.
What is the SMILES notation for 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine?
The canonical SMILES for 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine is CCCNc1nc2c(F)ccc(Br)c2cc1CCC.
What is the InChIKey of 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine?
The InChIKey is WJXJWNLRLXFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c1-3-5-10-9-11-12(16)6-7-13(17)14(11)19-15(10)18-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine?
5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine has a molecular weight of 325.23 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine is sourced from PubChem (CID 63524550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).