2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide

C12H13BrN2O2 — CID 107903528

IUPAC2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13BrN2O2/c1-7(13)12(17)14-9-3-4-10-8(6-9)2-5-11(16)15-10/h3-4,6-7H,2,5H2,1H3,(H,14,17)(H,15,16)
InChIKeySKWFYDHKMZZLNM-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.29
Rot. Bonds2

About 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide

2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (PubChem CID 107903528) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
PubChem CID107903528
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13BrN2O2/c1-7(13)12(17)14-9-3-4-10-8(6-9)2-5-11(16)15-10/h3-4,6-7H,2,5H2,1H3,(H,14,17)(H,15,16)
InChIKeySKWFYDHKMZZLNM-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.29
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

4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
(2R)-2-[ethyl(methyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 95325616
2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55629961
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The IUPAC name of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (CID 107903528) is 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The canonical SMILES for 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is CC(Br)C(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The InChIKey is SKWFYDHKMZZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7(13)12(17)14-9-3-4-10-8(6-9)2-5-11(16)15-10/h3-4,6-7H,2,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide has a molecular weight of 297.15 g/mol, XLogP of 2.29, 2 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-3,4-dihydro-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 107903528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).