N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide

C22H16ClFN4O3 — CID 44723145

IUPACN-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESCc1cccc2cc(/C=N/NC(=O)COc3ccc(F)cc3-c3ccno3)c(Cl)nc12
InChIInChI=1S/C22H16ClFN4O3/c1-13-3-2-4-14-9-15(22(23)27-21(13)14)11-25-28-20(29)12-30-18-6-5-16(24)10-17(18)19-7-8-26-31-19/h2-11H,12H2,1H3,(H,28,29)/b25-11+
InChIKeyHVYWHQHIWBFXHV-OPEKNORGSA-N
MW438.85 g/mol
LogP4.52
Rot. Bonds6

About N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide

N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide (PubChem CID 44723145) has the molecular formula C22H16ClFN4O3 and a molecular weight of 438.85 g/mol. Its IUPAC name is N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
PubChem CID44723145
Molecular FormulaC22H16ClFN4O3
Molecular Weight438.85 g/mol
Exact Mass438.09
IUPAC NameN-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESCc1cccc2cc(/C=N/NC(=O)COc3ccc(F)cc3-c3ccno3)c(Cl)nc12
InChIInChI=1S/C22H16ClFN4O3/c1-13-3-2-4-14-9-15(22(23)27-21(13)14)11-25-28-20(29)12-30-18-6-5-16(24)10-17(18)19-7-8-26-31-19/h2-11H,12H2,1H3,(H,28,29)/b25-11+
InChIKeyHVYWHQHIWBFXHV-OPEKNORGSA-N
XLogP4.52
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-8-methylquinolin-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316234
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]acetamide
CID 44722794
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
methyl N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]carbamate
CID 9075519
2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44723021
N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44722987
N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44724912
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]acetamide
CID 44722797
2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]acetamide
CID 44723070
(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857756
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
CID 4981135

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide (CID 44723145) is N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide is Cc1cccc2cc(/C=N/NC(=O)COc3ccc(F)cc3-c3ccno3)c(Cl)nc12.
What is the InChIKey of N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The InChIKey is HVYWHQHIWBFXHV-OPEKNORGSA-N. The full InChI is InChI=1S/C22H16ClFN4O3/c1-13-3-2-4-14-9-15(22(23)27-21(13)14)11-25-28-20(29)12-30-18-6-5-16(24)10-17(18)19-7-8-26-31-19/h2-11H,12H2,1H3,(H,28,29)/b25-11+.
What are the key properties of N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide has a molecular weight of 438.85 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 44723145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).