N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

C21H20ClN3O2 — CID 9316234

IUPACN-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cc3cccc(C)c3nc2Cl)cc1C
InChIInChI=1S/C21H20ClN3O2/c1-13-7-8-18(9-15(13)3)27-12-19(26)25-23-11-17-10-16-6-4-5-14(2)20(16)24-21(17)22/h4-11H,12H2,1-3H3,(H,25,26)/b23-11-
InChIKeyYRMJCFIQDDVSJP-KSEXSDGBSA-N
MW381.86 g/mol
LogP4.34
Rot. Bonds5

About N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 9316234) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID9316234
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cc3cccc(C)c3nc2Cl)cc1C
InChIInChI=1S/C21H20ClN3O2/c1-13-7-8-18(9-15(13)3)27-12-19(26)25-23-11-17-10-16-6-4-5-14(2)20(16)24-21(17)22/h4-11H,12H2,1-3H3,(H,25,26)/b23-11-
InChIKeyYRMJCFIQDDVSJP-KSEXSDGBSA-N
XLogP4.34
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.34
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

methyl N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]carbamate
CID 9075519
N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44723145
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5229956
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (CID 9316234) is N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2cc3cccc(C)c3nc2Cl)cc1C.
What is the InChIKey of N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is YRMJCFIQDDVSJP-KSEXSDGBSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-7-8-18(9-15(13)3)27-12-19(26)25-23-11-17-10-16-6-4-5-14(2)20(16)24-21(17)22/h4-11H,12H2,1-3H3,(H,25,26)/b23-11-.
What are the key properties of N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 381.86 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 9316234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).