[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate

C14H15N3O4 — CID 71320098

IUPAC[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
SMILESCCOC(=O)ON=C(N)COc1cccc2cccnc12
InChIInChI=1S/C14H15N3O4/c1-2-19-14(18)21-17-12(15)9-20-11-7-3-5-10-6-4-8-16-13(10)11/h3-8H,2,9H2,1H3,(H2,15,17)
InChIKeyBFZDKWCAHQHWLK-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.06
Rot. Bonds5

About [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate

[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate (PubChem CID 71320098) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate.

Molecular Properties

Compound Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
PubChem CID71320098
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
SMILESCCOC(=O)ON=C(N)COc1cccc2cccnc12
InChIInChI=1S/C14H15N3O4/c1-2-19-14(18)21-17-12(15)9-20-11-7-3-5-10-6-4-8-16-13(10)11/h3-8H,2,9H2,1H3,(H2,15,17)
InChIKeyBFZDKWCAHQHWLK-UHFFFAOYSA-N
XLogP2.06
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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] butyl carbonate
CID 127261108
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
CID 71320107
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
CID 127261100
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
CID 127261125
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-quinolin-8-yloxyacetate
CID 6950984
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
2-quinolin-8-yloxybutanamide
CID 62901439
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate?
The IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate (CID 71320098) is [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate.
What is the SMILES notation for [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate?
The canonical SMILES for [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate is CCOC(=O)ON=C(N)COc1cccc2cccnc12.
What is the InChIKey of [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate?
The InChIKey is BFZDKWCAHQHWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-19-14(18)21-17-12(15)9-20-11-7-3-5-10-6-4-8-16-13(10)11/h3-8H,2,9H2,1H3,(H2,15,17).
What are the key properties of [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate?
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate has a molecular weight of 289.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate is sourced from PubChem (CID 71320098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).