6-bromo-N,8-diethyl-3-propylquinolin-2-amine

C16H21BrN2 — CID 81289355

IUPAC6-bromo-N,8-diethyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(CC)c2nc1NCC
InChIInChI=1S/C16H21BrN2/c1-4-7-12-8-13-10-14(17)9-11(5-2)15(13)19-16(12)18-6-3/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyQGJBVZJXDGGEPV-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.94
Rot. Bonds5

About 6-bromo-N,8-diethyl-3-propylquinolin-2-amine

6-bromo-N,8-diethyl-3-propylquinolin-2-amine (PubChem CID 81289355) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 6-bromo-N,8-diethyl-3-propylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N,8-diethyl-3-propylquinolin-2-amine
PubChem CID81289355
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name6-bromo-N,8-diethyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(CC)c2nc1NCC
InChIInChI=1S/C16H21BrN2/c1-4-7-12-8-13-10-14(17)9-11(5-2)15(13)19-16(12)18-6-3/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyQGJBVZJXDGGEPV-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,8-diethyl-3-propylquinolin-2-amine?
The IUPAC name of 6-bromo-N,8-diethyl-3-propylquinolin-2-amine (CID 81289355) is 6-bromo-N,8-diethyl-3-propylquinolin-2-amine.
What is the SMILES notation for 6-bromo-N,8-diethyl-3-propylquinolin-2-amine?
The canonical SMILES for 6-bromo-N,8-diethyl-3-propylquinolin-2-amine is CCCc1cc2cc(Br)cc(CC)c2nc1NCC.
What is the InChIKey of 6-bromo-N,8-diethyl-3-propylquinolin-2-amine?
The InChIKey is QGJBVZJXDGGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-4-7-12-8-13-10-14(17)9-11(5-2)15(13)19-16(12)18-6-3/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 6-bromo-N,8-diethyl-3-propylquinolin-2-amine?
6-bromo-N,8-diethyl-3-propylquinolin-2-amine has a molecular weight of 321.26 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,8-diethyl-3-propylquinolin-2-amine is sourced from PubChem (CID 81289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).