4-bromo-3-propan-2-ylquinoline

C12H12BrN — CID 155647294

IUPAC4-bromo-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2ccccc2c1Br
InChIInChI=1S/C12H12BrN/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-8H,1-2H3
InChIKeyPOMQBCBRYAKPMG-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.12
Rot. Bonds1

About 4-bromo-3-propan-2-ylquinoline

4-bromo-3-propan-2-ylquinoline (PubChem CID 155647294) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 4-bromo-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-bromo-3-propan-2-ylquinoline
PubChem CID155647294
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name4-bromo-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2ccccc2c1Br
InChIInChI=1S/C12H12BrN/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-8H,1-2H3
InChIKeyPOMQBCBRYAKPMG-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-propan-2-ylquinoline?
The IUPAC name of 4-bromo-3-propan-2-ylquinoline (CID 155647294) is 4-bromo-3-propan-2-ylquinoline.
What is the SMILES notation for 4-bromo-3-propan-2-ylquinoline?
The canonical SMILES for 4-bromo-3-propan-2-ylquinoline is CC(C)c1cnc2ccccc2c1Br.
What is the InChIKey of 4-bromo-3-propan-2-ylquinoline?
The InChIKey is POMQBCBRYAKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-8H,1-2H3.
What are the key properties of 4-bromo-3-propan-2-ylquinoline?
4-bromo-3-propan-2-ylquinoline has a molecular weight of 250.14 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-propan-2-ylquinoline is sourced from PubChem (CID 155647294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).