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

C18H14ClN3O3 — CID 127261100

IUPAC[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
SMILESN/C(COc1cccc2cccnc12)=N\OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-6-13(7-9-14)18(23)25-22-16(20)11-24-15-5-1-3-12-4-2-10-21-17(12)15/h1-10H,11H2,(H2,20,22)
InChIKeyBHPUHRBSTVCHLB-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.40
Rot. Bonds5

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

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate (PubChem CID 127261100) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
PubChem CID127261100
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
SMILESN/C(COc1cccc2cccnc12)=N\OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-6-13(7-9-14)18(23)25-22-16(20)11-24-15-5-1-3-12-4-2-10-21-17(12)15/h1-10H,11H2,(H2,20,22)
InChIKeyBHPUHRBSTVCHLB-UHFFFAOYSA-N
XLogP3.40
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.40
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] 2-(4-chlorophenyl)acetate
CID 127261125
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
[(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] propylsulfanylformate
CID 71320107
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
CID 127261108
1-(4-chlorophenyl)-3-quinolin-8-yloxyprop-2-en-1-one
CID 74520495
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
2-quinolin-8-yloxyacetate
CID 6950984
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate?
The IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate (CID 127261100) is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate.
What is the SMILES notation for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate?
The canonical SMILES for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate is N/C(COc1cccc2cccnc12)=N\OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate?
The InChIKey is BHPUHRBSTVCHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-8-6-13(7-9-14)18(23)25-22-16(20)11-24-15-5-1-3-12-4-2-10-21-17(12)15/h1-10H,11H2,(H2,20,22).
What are the key properties of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate?
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate has a molecular weight of 355.78 g/mol, XLogP of 3.40, 5 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] 4-chlorobenzoate is sourced from PubChem (CID 127261100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).