N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide

C13H12ClN3O2 — CID 5390979

IUPACN-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
SMILESCOc1ccc2cc(/C=N\NC(C)=O)c(Cl)nc2c1
InChIInChI=1S/C13H12ClN3O2/c1-8(18)17-15-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)14/h3-7H,1-2H3,(H,17,18)/b15-7-
InChIKeyFFQKHRVPLPOKCV-CHHVJCJISA-N
MW277.71 g/mol
LogP2.37
Rot. Bonds3

About N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide

N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide (PubChem CID 5390979) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
PubChem CID5390979
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
SMILESCOc1ccc2cc(/C=N\NC(C)=O)c(Cl)nc2c1
InChIInChI=1S/C13H12ClN3O2/c1-8(18)17-15-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)14/h3-7H,1-2H3,(H,17,18)/b15-7-
InChIKeyFFQKHRVPLPOKCV-CHHVJCJISA-N
XLogP2.37
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 1274174
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4146169
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 71466608
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 124534853
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 126136011
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 94838497
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 94838495
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 3538909

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide (CID 5390979) is N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide is COc1ccc2cc(/C=N\NC(C)=O)c(Cl)nc2c1.
What is the InChIKey of N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The InChIKey is FFQKHRVPLPOKCV-CHHVJCJISA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8(18)17-15-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)14/h3-7H,1-2H3,(H,17,18)/b15-7-.
What are the key properties of N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide has a molecular weight of 277.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 5390979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).