4-(bromomethyl)-2,8-di(propan-2-yl)quinoline

C16H20BrN — CID 82448081

IUPAC4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
SMILESCC(C)c1cc(CBr)c2cccc(C(C)C)c2n1
InChIInChI=1S/C16H20BrN/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,9H2,1-4H3
InChIKeyYWLIMCWBBQPCGD-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.38
Rot. Bonds3

About 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline

4-(bromomethyl)-2,8-di(propan-2-yl)quinoline (PubChem CID 82448081) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline.

Molecular Properties

Compound Name4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
PubChem CID82448081
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
SMILESCC(C)c1cc(CBr)c2cccc(C(C)C)c2n1
InChIInChI=1S/C16H20BrN/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,9H2,1-4H3
InChIKeyYWLIMCWBBQPCGD-UHFFFAOYSA-N
XLogP5.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline?
The IUPAC name of 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline (CID 82448081) is 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline.
What is the SMILES notation for 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline?
The canonical SMILES for 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline is CC(C)c1cc(CBr)c2cccc(C(C)C)c2n1.
What is the InChIKey of 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline?
The InChIKey is YWLIMCWBBQPCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-10(2)13-6-5-7-14-12(9-17)8-15(11(3)4)18-16(13)14/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline?
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline has a molecular weight of 306.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,8-di(propan-2-yl)quinoline is sourced from PubChem (CID 82448081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).