[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate

C15H17N3O3S — CID 71320107

IUPAC[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
SMILESCCCSC(=O)ON=C(N)COc1cccc2cccnc12
InChIInChI=1S/C15H17N3O3S/c1-2-9-22-15(19)21-18-13(16)10-20-12-7-3-5-11-6-4-8-17-14(11)12/h3-8H,2,9-10H2,1H3,(H2,16,18)
InChIKeyGCCOJPCJNUIGTB-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.17
Rot. Bonds6

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

[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate (PubChem CID 71320107) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate.

Molecular Properties

Compound Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
PubChem CID71320107
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
SMILESCCCSC(=O)ON=C(N)COc1cccc2cccnc12
InChIInChI=1S/C15H17N3O3S/c1-2-9-22-15(19)21-18-13(16)10-20-12-7-3-5-11-6-4-8-17-14(11)12/h3-8H,2,9-10H2,1H3,(H2,16,18)
InChIKeyGCCOJPCJNUIGTB-UHFFFAOYSA-N
XLogP3.17
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.17
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
CID 71320098
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
CID 127261108
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-chlorobenzoate
CID 127261100
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
CID 127261125
2-quinolin-8-yloxyacetate
CID 6950984
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate?
The IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate (CID 71320107) is [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate.
What is the SMILES notation for [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate?
The canonical SMILES for [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate is CCCSC(=O)ON=C(N)COc1cccc2cccnc12.
What is the InChIKey of [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate?
The InChIKey is GCCOJPCJNUIGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-9-22-15(19)21-18-13(16)10-20-12-7-3-5-11-6-4-8-17-14(11)12/h3-8H,2,9-10H2,1H3,(H2,16,18).
What are the key properties of [(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate?
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate has a molecular weight of 319.39 g/mol, XLogP of 3.17, 6 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] propylsulfanylformate is sourced from PubChem (CID 71320107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).