8-bromo-5-propan-2-ylquinoline

C12H12BrN — CID 22716768

IUPAC8-bromo-5-propan-2-ylquinoline
SMILESCC(C)c1ccc(Br)c2ncccc12
InChIInChI=1S/C12H12BrN/c1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12/h3-8H,1-2H3
InChIKeyCIONRBZRAYAJQG-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.12
Rot. Bonds1

About 8-bromo-5-propan-2-ylquinoline

8-bromo-5-propan-2-ylquinoline (PubChem CID 22716768) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 8-bromo-5-propan-2-ylquinoline.

Molecular Properties

Compound Name8-bromo-5-propan-2-ylquinoline
PubChem CID22716768
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name8-bromo-5-propan-2-ylquinoline
SMILESCC(C)c1ccc(Br)c2ncccc12
InChIInChI=1S/C12H12BrN/c1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12/h3-8H,1-2H3
InChIKeyCIONRBZRAYAJQG-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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Related Compounds

bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
CID 161240222
8-bromo-5-iodoquinoline
CID 14548352
7,8-difluoro-5-propan-2-ylquinoline
CID 166491545
8-ethyl-5-propan-2-yl-1,7-naphthyridine
CID 91121242
2-bromo-3-propan-2-ylpyridine
CID 23436869
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
8-bromo-6-methoxy-4-propan-2-ylquinoline
CID 167327575
CID 158967293
CID 158967293
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-propan-2-ylquinoline?
The IUPAC name of 8-bromo-5-propan-2-ylquinoline (CID 22716768) is 8-bromo-5-propan-2-ylquinoline.
What is the SMILES notation for 8-bromo-5-propan-2-ylquinoline?
The canonical SMILES for 8-bromo-5-propan-2-ylquinoline is CC(C)c1ccc(Br)c2ncccc12.
What is the InChIKey of 8-bromo-5-propan-2-ylquinoline?
The InChIKey is CIONRBZRAYAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12/h3-8H,1-2H3.
What are the key properties of 8-bromo-5-propan-2-ylquinoline?
8-bromo-5-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 8-bromo-5-propan-2-ylquinoline is sourced from PubChem (CID 22716768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).