2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide

C24H27ClFN3O2 — CID 50869490

IUPAC2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
SMILESCCCN1c2cc(F)c(/C=N/NC(=O)COc3cccc(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27ClFN3O2/c1-5-9-29-22-12-21(26)17(10-20(22)16(2)13-24(29,3)4)14-27-28-23(30)15-31-19-8-6-7-18(25)11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,28,30)/b27-14+
InChIKeyGOQDIYFBMBAVSJ-MZJWZYIUSA-N
MW443.95 g/mol
LogP5.42
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide (PubChem CID 50869490) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
PubChem CID50869490
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
SMILESCCCN1c2cc(F)c(/C=N/NC(=O)COc3cccc(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27ClFN3O2/c1-5-9-29-22-12-21(26)17(10-20(22)16(2)13-24(29,3)4)14-27-28-23(30)15-31-19-8-6-7-18(25)11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,28,30)/b27-14+
InChIKeyGOQDIYFBMBAVSJ-MZJWZYIUSA-N
XLogP5.42
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.95
LogP ≤ 55.42
H-Bond Donors ≤ 51
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'}

Analyze 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869212
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50867457
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869701
2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867736
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
2-(3-bromophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50863315
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide (CID 50869490) is 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide is CCCN1c2cc(F)c(/C=N/NC(=O)COc3cccc(Cl)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide?
The InChIKey is GOQDIYFBMBAVSJ-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-5-9-29-22-12-21(26)17(10-20(22)16(2)13-24(29,3)4)14-27-28-23(30)15-31-19-8-6-7-18(25)11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,28,30)/b27-14+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 443.95 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 50869490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).