[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate

C19H16ClN3O3 — CID 127261125

IUPAC[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
SMILESN/C(COc1cccc2cccnc12)=N\OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3/c20-15-8-6-13(7-9-15)11-18(24)26-23-17(21)12-25-16-5-1-3-14-4-2-10-22-19(14)16/h1-10H,11-12H2,(H2,21,23)
InChIKeyDXQSKMVIDTUXSV-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.33
Rot. Bonds6

About [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate (PubChem CID 127261125) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
PubChem CID127261125
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
SMILESN/C(COc1cccc2cccnc12)=N\OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3/c20-15-8-6-13(7-9-15)11-18(24)26-23-17(21)12-25-16-5-1-3-14-4-2-10-22-19(14)16/h1-10H,11-12H2,(H2,21,23)
InChIKeyDXQSKMVIDTUXSV-UHFFFAOYSA-N
XLogP3.33
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
CID 127261100
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
CID 71320098
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
CID 71320107
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
CID 127261108
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
2-quinolin-8-yloxyacetate
CID 6950984
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126029705

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate (CID 127261125) is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate is N/C(COc1cccc2cccnc12)=N\OC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate?
The InChIKey is DXQSKMVIDTUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-15-8-6-13(7-9-15)11-18(24)26-23-17(21)12-25-16-5-1-3-14-4-2-10-22-19(14)16/h1-10H,11-12H2,(H2,21,23).
What are the key properties of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate?
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate has a molecular weight of 369.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 127261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).