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

C16H19N3O4 — CID 127261108

IUPAC[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
SMILESCCCCOC(=O)O/N=C(\N)COc1cccc2cccnc12
InChIInChI=1S/C16H19N3O4/c1-2-3-10-21-16(20)23-19-14(17)11-22-13-8-4-6-12-7-5-9-18-15(12)13/h4-9H,2-3,10-11H2,1H3,(H2,17,19)
InChIKeyHZFLLDKTKLZRKK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.84
Rot. Bonds7

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

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate (PubChem CID 127261108) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
PubChem CID127261108
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
SMILESCCCCOC(=O)O/N=C(\N)COc1cccc2cccnc12
InChIInChI=1S/C16H19N3O4/c1-2-3-10-21-16(20)23-19-14(17)11-22-13-8-4-6-12-7-5-9-18-15(12)13/h4-9H,2-3,10-11H2,1H3,(H2,17,19)
InChIKeyHZFLLDKTKLZRKK-UHFFFAOYSA-N
XLogP2.84
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate?
The IUPAC name of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate (CID 127261108) is [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate.
What is the SMILES notation for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate?
The canonical SMILES for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate is CCCCOC(=O)O/N=C(\N)COc1cccc2cccnc12.
What is the InChIKey of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate?
The InChIKey is HZFLLDKTKLZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-3-10-21-16(20)23-19-14(17)11-22-13-8-4-6-12-7-5-9-18-15(12)13/h4-9H,2-3,10-11H2,1H3,(H2,17,19).
What are the key properties of [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate?
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate has a molecular weight of 317.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate is sourced from PubChem (CID 127261108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).