6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine

C16H19BrN2 — CID 81287597

IUPAC6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(CC)cc(Br)cc12
InChIInChI=1S/C16H19BrN2/c1-3-10-7-12(17)8-13-15(18-4-2)9-14(11-5-6-11)19-16(10)13/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyHVSKQBPQQUMMHT-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.87
Rot. Bonds4

About 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine

6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine (PubChem CID 81287597) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
PubChem CID81287597
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(CC)cc(Br)cc12
InChIInChI=1S/C16H19BrN2/c1-3-10-7-12(17)8-13-15(18-4-2)9-14(11-5-6-11)19-16(10)13/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyHVSKQBPQQUMMHT-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine?
The IUPAC name of 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine (CID 81287597) is 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine is CCNc1cc(C2CC2)nc2c(CC)cc(Br)cc12.
What is the InChIKey of 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine?
The InChIKey is HVSKQBPQQUMMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-10-7-12(17)8-13-15(18-4-2)9-14(11-5-6-11)19-16(10)13/h7-9,11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine?
6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine has a molecular weight of 319.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine is sourced from PubChem (CID 81287597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).