3-bromo-N-quinolin-8-ylpropanamide

C12H11BrN2O — CID 16759556

IUPAC3-bromo-N-quinolin-8-ylpropanamide
SMILESO=C(CCBr)Nc1cccc2cccnc12
InChIInChI=1S/C12H11BrN2O/c13-7-6-11(16)15-10-5-1-3-9-4-2-8-14-12(9)10/h1-5,8H,6-7H2,(H,15,16)
InChIKeyQTJKAOPDTIPZPC-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.96
Rot. Bonds3

About 3-bromo-N-quinolin-8-ylpropanamide

3-bromo-N-quinolin-8-ylpropanamide (PubChem CID 16759556) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-bromo-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-bromo-N-quinolin-8-ylpropanamide
PubChem CID16759556
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-bromo-N-quinolin-8-ylpropanamide
SMILESO=C(CCBr)Nc1cccc2cccnc12
InChIInChI=1S/C12H11BrN2O/c13-7-6-11(16)15-10-5-1-3-9-4-2-8-14-12(9)10/h1-5,8H,6-7H2,(H,15,16)
InChIKeyQTJKAOPDTIPZPC-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-bromo-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-bromo-N-quinolin-8-ylpropanamide (CID 16759556) is 3-bromo-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-bromo-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-bromo-N-quinolin-8-ylpropanamide is O=C(CCBr)Nc1cccc2cccnc12.
What is the InChIKey of 3-bromo-N-quinolin-8-ylpropanamide?
The InChIKey is QTJKAOPDTIPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-7-6-11(16)15-10-5-1-3-9-4-2-8-14-12(9)10/h1-5,8H,6-7H2,(H,15,16).
What are the key properties of 3-bromo-N-quinolin-8-ylpropanamide?
3-bromo-N-quinolin-8-ylpropanamide has a molecular weight of 279.14 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 16759556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).