2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C20H19N3O3 — CID 932384

IUPAC2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc3ccccc3[nH]c2=O)cc1C
InChIInChI=1S/C20H19N3O3/c1-13-7-8-17(9-14(13)2)26-12-19(24)23-21-11-16-10-15-5-3-4-6-18(15)22-20(16)25/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGCVITEDCQKSBJM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.67
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 932384) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID932384
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc3ccccc3[nH]c2=O)cc1C
InChIInChI=1S/C20H19N3O3/c1-13-7-8-17(9-14(13)2)26-12-19(24)23-21-11-16-10-15-5-3-4-6-18(15)22-20(16)25/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGCVITEDCQKSBJM-UHFFFAOYSA-N
XLogP2.67
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4534549
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136782137
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135648428
N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316234
2-(3,4-dimethylphenoxy)-N-[(3-hydroxy-1-oxo-2H-isoquinolin-4-yl)methylideneamino]acetamide
CID 137148690
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(3,4-dimethylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135479490
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 932384) is 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is Cc1ccc(OCC(=O)NN=Cc2cc3ccccc3[nH]c2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is GCVITEDCQKSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-7-8-17(9-14(13)2)26-12-19(24)23-21-11-16-10-15-5-3-4-6-18(15)22-20(16)25/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 932384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).