5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine

C14H14Br2N2 — CID 63484561

IUPAC5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C14H14Br2N2/c1-2-17-12-7-11(8-3-4-8)18-14-10(16)6-5-9(15)13(12)14/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyFXGMEGDZEXLDJV-UHFFFAOYSA-N
MW370.09 g/mol
LogP5.07
Rot. Bonds3

About 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine

5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine (PubChem CID 63484561) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
PubChem CID63484561
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C14H14Br2N2/c1-2-17-12-7-11(8-3-4-8)18-14-10(16)6-5-9(15)13(12)14/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyFXGMEGDZEXLDJV-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine?
The IUPAC name of 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine (CID 63484561) is 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine.
What is the SMILES notation for 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine?
The canonical SMILES for 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine is CCNc1cc(C2CC2)nc2c(Br)ccc(Br)c12.
What is the InChIKey of 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine?
The InChIKey is FXGMEGDZEXLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-2-17-12-7-11(8-3-4-8)18-14-10(16)6-5-9(15)13(12)14/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine?
5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine has a molecular weight of 370.09 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine is sourced from PubChem (CID 63484561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).