2-bromo-N-quinolin-5-ylpropanamide

C12H11BrN2O — CID 107902854

IUPAC2-bromo-N-quinolin-5-ylpropanamide
SMILESCC(Br)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C12H11BrN2O/c1-8(13)12(16)15-11-6-2-5-10-9(11)4-3-7-14-10/h2-8H,1H3,(H,15,16)
InChIKeyVQKPWQXLBCRWRN-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-N-quinolin-5-ylpropanamide

2-bromo-N-quinolin-5-ylpropanamide (PubChem CID 107902854) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-bromo-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-bromo-N-quinolin-5-ylpropanamide
PubChem CID107902854
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-bromo-N-quinolin-5-ylpropanamide
SMILESCC(Br)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C12H11BrN2O/c1-8(13)12(16)15-11-6-2-5-10-9(11)4-3-7-14-10/h2-8H,1H3,(H,15,16)
InChIKeyVQKPWQXLBCRWRN-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-bromo-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-bromo-N-quinolin-5-ylpropanamide (CID 107902854) is 2-bromo-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-bromo-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-bromo-N-quinolin-5-ylpropanamide is CC(Br)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-bromo-N-quinolin-5-ylpropanamide?
The InChIKey is VQKPWQXLBCRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8(13)12(16)15-11-6-2-5-10-9(11)4-3-7-14-10/h2-8H,1H3,(H,15,16).
What are the key properties of 2-bromo-N-quinolin-5-ylpropanamide?
2-bromo-N-quinolin-5-ylpropanamide has a molecular weight of 279.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 107902854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).