6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile

C12H9Br2N3 — CID 62188170

IUPAC6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H9Br2N3/c1-2-16-11-7(5-15)6-17-12-9(11)3-8(13)4-10(12)14/h3-4,6H,2H2,1H3,(H,16,17)
InChIKeyQJSGHEOXOVLQCI-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.06
Rot. Bonds2

About 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile

6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile (PubChem CID 62188170) has the molecular formula C12H9Br2N3 and a molecular weight of 355.03 g/mol. Its IUPAC name is 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
PubChem CID62188170
Molecular FormulaC12H9Br2N3
Molecular Weight355.03 g/mol
Exact Mass352.92
IUPAC Name6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H9Br2N3/c1-2-16-11-7(5-15)6-17-12-9(11)3-8(13)4-10(12)14/h3-4,6H,2H2,1H3,(H,16,17)
InChIKeyQJSGHEOXOVLQCI-UHFFFAOYSA-N
XLogP4.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile (CID 62188170) is 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile is CCNc1c(C#N)cnc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile?
The InChIKey is QJSGHEOXOVLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3/c1-2-16-11-7(5-15)6-17-12-9(11)3-8(13)4-10(12)14/h3-4,6H,2H2,1H3,(H,16,17).
What are the key properties of 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile?
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile has a molecular weight of 355.03 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).