2-chloro-N-(6-chloroquinolin-8-yl)propanamide

C12H10Cl2N2O — CID 43696479

IUPAC2-chloro-N-(6-chloroquinolin-8-yl)propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C12H10Cl2N2O/c1-7(13)12(17)16-10-6-9(14)5-8-3-2-4-15-11(8)10/h2-7H,1H3,(H,16,17)
InChIKeyPYZIJPJRVVQYQL-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.45
Rot. Bonds2

About 2-chloro-N-(6-chloroquinolin-8-yl)propanamide

2-chloro-N-(6-chloroquinolin-8-yl)propanamide (PubChem CID 43696479) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-chloro-N-(6-chloroquinolin-8-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloroquinolin-8-yl)propanamide
PubChem CID43696479
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-chloro-N-(6-chloroquinolin-8-yl)propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C12H10Cl2N2O/c1-7(13)12(17)16-10-6-9(14)5-8-3-2-4-15-11(8)10/h2-7H,1H3,(H,16,17)
InChIKeyPYZIJPJRVVQYQL-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.45
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

8-(2-chloropropanoylamino)quinoline-6-carboxamide
CID 146098722
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
CID 81082757
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
N-(6-chloroquinolin-8-yl)furan-2-carboxamide
CID 60729929
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
3-amino-N-(6-chloroquinolin-8-yl)benzamide
CID 43698580
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloroquinolin-8-yl)propanamide?
The IUPAC name of 2-chloro-N-(6-chloroquinolin-8-yl)propanamide (CID 43696479) is 2-chloro-N-(6-chloroquinolin-8-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(6-chloroquinolin-8-yl)propanamide?
The canonical SMILES for 2-chloro-N-(6-chloroquinolin-8-yl)propanamide is CC(Cl)C(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of 2-chloro-N-(6-chloroquinolin-8-yl)propanamide?
The InChIKey is PYZIJPJRVVQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7(13)12(17)16-10-6-9(14)5-8-3-2-4-15-11(8)10/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(6-chloroquinolin-8-yl)propanamide?
2-chloro-N-(6-chloroquinolin-8-yl)propanamide has a molecular weight of 269.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloroquinolin-8-yl)propanamide is sourced from PubChem (CID 43696479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).