N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide

C12H10ClN3O — CID 1274642

IUPACN-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClN3O/c1-8(17)16-14-7-10-6-9-4-2-3-5-11(9)15-12(10)13/h2-7H,1H3,(H,16,17)
InChIKeyJUFVIRDOVPTZKC-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.36
Rot. Bonds2

About N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide

N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide (PubChem CID 1274642) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
PubChem CID1274642
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClN3O/c1-8(17)16-14-7-10-6-9-4-2-3-5-11(9)15-12(10)13/h2-7H,1H3,(H,16,17)
InChIKeyJUFVIRDOVPTZKC-UHFFFAOYSA-N
XLogP2.36
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 5390979
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 4664994
5-bromo-N-[(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3518174

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide (CID 1274642) is N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide is CC(=O)NN=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide?
The InChIKey is JUFVIRDOVPTZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8(17)16-14-7-10-6-9-4-2-3-5-11(9)15-12(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide?
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide has a molecular weight of 247.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 1274642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).