2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

C13H13BrN2O2 — CID 166383305

IUPAC2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCC(Br)C(=O)NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13BrN2O2/c1-8(14)13(18)15-7-9-6-12(17)16-11-5-3-2-4-10(9)11/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWIHVOQZPPDVWEU-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 166383305) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID166383305
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCC(Br)C(=O)NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13BrN2O2/c1-8(14)13(18)15-7-9-6-12(17)16-11-5-3-2-4-10(9)11/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyWIHVOQZPPDVWEU-UHFFFAOYSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 166383305) is 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CC(Br)C(=O)NCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is WIHVOQZPPDVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8(14)13(18)15-7-9-6-12(17)16-11-5-3-2-4-10(9)11/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 309.16 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 166383305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).