8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide

C15H17BrN2O — CID 123630595

IUPAC8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide
SMILESCNC(=O)c1ccc(Br)c2nc(CC(C)C)ccc12
InChIInChI=1S/C15H17BrN2O/c1-9(2)8-10-4-5-11-12(15(19)17-3)6-7-13(16)14(11)18-10/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyXYRINCQENLSOEU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.56
Rot. Bonds3

About 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide

8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide (PubChem CID 123630595) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide
PubChem CID123630595
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide
SMILESCNC(=O)c1ccc(Br)c2nc(CC(C)C)ccc12
InChIInChI=1S/C15H17BrN2O/c1-9(2)8-10-4-5-11-12(15(19)17-3)6-7-13(16)14(11)18-10/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyXYRINCQENLSOEU-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide?
The IUPAC name of 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide (CID 123630595) is 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide.
What is the SMILES notation for 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide?
The canonical SMILES for 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide is CNC(=O)c1ccc(Br)c2nc(CC(C)C)ccc12.
What is the InChIKey of 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide?
The InChIKey is XYRINCQENLSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9(2)8-10-4-5-11-12(15(19)17-3)6-7-13(16)14(11)18-10/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide?
8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide is sourced from PubChem (CID 123630595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).