2-bromo-N-(8-chloroquinolin-5-yl)propanamide

C12H10BrClN2O — CID 107903962

IUPAC2-bromo-N-(8-chloroquinolin-5-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C12H10BrClN2O/c1-7(13)12(17)16-10-5-4-9(14)11-8(10)3-2-6-15-11/h2-7H,1H3,(H,16,17)
InChIKeyBIJMDXZQLLDILF-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-N-(8-chloroquinolin-5-yl)propanamide

2-bromo-N-(8-chloroquinolin-5-yl)propanamide (PubChem CID 107903962) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-bromo-N-(8-chloroquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(8-chloroquinolin-5-yl)propanamide
PubChem CID107903962
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-bromo-N-(8-chloroquinolin-5-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C12H10BrClN2O/c1-7(13)12(17)16-10-5-4-9(14)11-8(10)3-2-6-15-11/h2-7H,1H3,(H,16,17)
InChIKeyBIJMDXZQLLDILF-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
CID 81071022
N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732428
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
CID 125164986
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(8-chloroquinolin-5-yl)propanamide?
The IUPAC name of 2-bromo-N-(8-chloroquinolin-5-yl)propanamide (CID 107903962) is 2-bromo-N-(8-chloroquinolin-5-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(8-chloroquinolin-5-yl)propanamide?
The canonical SMILES for 2-bromo-N-(8-chloroquinolin-5-yl)propanamide is CC(Br)C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 2-bromo-N-(8-chloroquinolin-5-yl)propanamide?
The InChIKey is BIJMDXZQLLDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7(13)12(17)16-10-5-4-9(14)11-8(10)3-2-6-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(8-chloroquinolin-5-yl)propanamide?
2-bromo-N-(8-chloroquinolin-5-yl)propanamide has a molecular weight of 313.58 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(8-chloroquinolin-5-yl)propanamide is sourced from PubChem (CID 107903962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).