[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate

C16H13N3O4 — CID 71320066

IUPAC[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
SMILESNC(COc1cccc2cccnc12)=NOC(=O)c1ccco1
InChIInChI=1S/C16H13N3O4/c17-14(19-23-16(20)13-7-3-9-21-13)10-22-12-6-1-4-11-5-2-8-18-15(11)12/h1-9H,10H2,(H2,17,19)
InChIKeyWTDDBRSDQXXFSK-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.34
Rot. Bonds5

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

[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate (PubChem CID 71320066) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate.

Molecular Properties

Compound Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
PubChem CID71320066
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
SMILESNC(COc1cccc2cccnc12)=NOC(=O)c1ccco1
InChIInChI=1S/C16H13N3O4/c17-14(19-23-16(20)13-7-3-9-21-13)10-22-12-6-1-4-11-5-2-8-18-15(11)12/h1-9H,10H2,(H2,17,19)
InChIKeyWTDDBRSDQXXFSK-UHFFFAOYSA-N
XLogP2.34
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.34
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] 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
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
CID 50905836
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
CID 127261125
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
CID 71320107
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
CID 127261108
2-quinolin-8-yloxyacetate
CID 6950984
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate?
The IUPAC name of [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate (CID 71320066) is [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate.
What is the SMILES notation for [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate?
The canonical SMILES for [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate is NC(COc1cccc2cccnc12)=NOC(=O)c1ccco1.
What is the InChIKey of [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate?
The InChIKey is WTDDBRSDQXXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c17-14(19-23-16(20)13-7-3-9-21-13)10-22-12-6-1-4-11-5-2-8-18-15(11)12/h1-9H,10H2,(H2,17,19).
What are the key properties of [(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate?
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 2.34, 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] furan-2-carboxylate is sourced from PubChem (CID 71320066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).