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

C19H16ClN3O2 — CID 1377609

IUPACN-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-13-6-2-5-9-17(13)25-12-18(24)23-21-11-15-10-14-7-3-4-8-16(14)22-19(15)20/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYIPOIQBGZJYIHL-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.73
Rot. Bonds5

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

N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 1377609) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID1377609
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-13-6-2-5-9-17(13)25-12-18(24)23-21-11-15-10-14-7-3-4-8-16(14)22-19(15)20/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYIPOIQBGZJYIHL-UHFFFAOYSA-N
XLogP3.73
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.73
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-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316234
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 4664994
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 1377609) is N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NN=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is YIPOIQBGZJYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-6-2-5-9-17(13)25-12-18(24)23-21-11-15-10-14-7-3-4-8-16(14)22-19(15)20/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 353.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1377609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).