6-bromo-2-tert-butylquinoline-4-carbonitrile

C14H13BrN2 — CID 71742656

IUPAC6-bromo-2-tert-butylquinoline-4-carbonitrile
SMILESCC(C)(C)c1cc(C#N)c2cc(Br)ccc2n1
InChIInChI=1S/C14H13BrN2/c1-14(2,3)13-6-9(8-16)11-7-10(15)4-5-12(11)17-13/h4-7H,1-3H3
InChIKeyKFGFCWHEYYWUIS-UHFFFAOYSA-N
MW289.18 g/mol
LogP4.17
Rot. Bonds

About 6-bromo-2-tert-butylquinoline-4-carbonitrile

6-bromo-2-tert-butylquinoline-4-carbonitrile (PubChem CID 71742656) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 6-bromo-2-tert-butylquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-tert-butylquinoline-4-carbonitrile
PubChem CID71742656
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name6-bromo-2-tert-butylquinoline-4-carbonitrile
SMILESCC(C)(C)c1cc(C#N)c2cc(Br)ccc2n1
InChIInChI=1S/C14H13BrN2/c1-14(2,3)13-6-9(8-16)11-7-10(15)4-5-12(11)17-13/h4-7H,1-3H3
InChIKeyKFGFCWHEYYWUIS-UHFFFAOYSA-N
XLogP4.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butylquinoline-4-carbonitrile?
The IUPAC name of 6-bromo-2-tert-butylquinoline-4-carbonitrile (CID 71742656) is 6-bromo-2-tert-butylquinoline-4-carbonitrile.
What is the SMILES notation for 6-bromo-2-tert-butylquinoline-4-carbonitrile?
The canonical SMILES for 6-bromo-2-tert-butylquinoline-4-carbonitrile is CC(C)(C)c1cc(C#N)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-tert-butylquinoline-4-carbonitrile?
The InChIKey is KFGFCWHEYYWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c1-14(2,3)13-6-9(8-16)11-7-10(15)4-5-12(11)17-13/h4-7H,1-3H3.
What are the key properties of 6-bromo-2-tert-butylquinoline-4-carbonitrile?
6-bromo-2-tert-butylquinoline-4-carbonitrile has a molecular weight of 289.18 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butylquinoline-4-carbonitrile is sourced from PubChem (CID 71742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).