2-bromo-4-propan-2-ylquinoline

C12H12BrN — CID 146082408

IUPAC2-bromo-4-propan-2-ylquinoline
SMILESCC(C)c1cc(Br)nc2ccccc12
InChIInChI=1S/C12H12BrN/c1-8(2)10-7-12(13)14-11-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeyCCSZZTXBIKUIAB-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.12
Rot. Bonds1

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

2-bromo-4-propan-2-ylquinoline (PubChem CID 146082408) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-4-propan-2-ylquinoline.

Molecular Properties

Compound Name2-bromo-4-propan-2-ylquinoline
PubChem CID146082408
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name2-bromo-4-propan-2-ylquinoline
SMILESCC(C)c1cc(Br)nc2ccccc12
InChIInChI=1S/C12H12BrN/c1-8(2)10-7-12(13)14-11-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeyCCSZZTXBIKUIAB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-propan-2-ylquinoline
CID 144871804
2,4-dibromoquinoline
CID 824608
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
trimethyl-(4-propan-2-ylquinolin-2-yl)oxysilane
CID 134989647
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
2-bromo-4-ethoxyquinoline
CID 824618
2-bromo-4-nitrosoquinoline
CID 88919783
4-bromo-3-propan-2-ylquinoline
CID 155647294
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
CID 90395677
4,9-di(propan-2-yl)pyrene
CID 145027852
4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
CID 176651591
CID 160608048
CID 160608048

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-propan-2-ylquinoline?
The IUPAC name of 2-bromo-4-propan-2-ylquinoline (CID 146082408) is 2-bromo-4-propan-2-ylquinoline.
What is the SMILES notation for 2-bromo-4-propan-2-ylquinoline?
The canonical SMILES for 2-bromo-4-propan-2-ylquinoline is CC(C)c1cc(Br)nc2ccccc12.
What is the InChIKey of 2-bromo-4-propan-2-ylquinoline?
The InChIKey is CCSZZTXBIKUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8(2)10-7-12(13)14-11-6-4-3-5-9(10)11/h3-8H,1-2H3.
What are the key properties of 2-bromo-4-propan-2-ylquinoline?
2-bromo-4-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 2-bromo-4-propan-2-ylquinoline is sourced from PubChem (CID 146082408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).