N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide

C17H15N3O3 — CID 4612942

IUPACN-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
SMILESCC(Oc1cccc2cccnc12)C(=O)NN=Cc1ccco1
InChIInChI=1S/C17H15N3O3/c1-12(17(21)20-19-11-14-7-4-10-22-14)23-15-8-2-5-13-6-3-9-18-16(13)15/h2-12H,1H3,(H,20,21)
InChIKeyXIAMUSCGSIIPDH-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.75
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide

N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide (PubChem CID 4612942) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
PubChem CID4612942
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
SMILESCC(Oc1cccc2cccnc12)C(=O)NN=Cc1ccco1
InChIInChI=1S/C17H15N3O3/c1-12(17(21)20-19-11-14-7-4-10-22-14)23-15-8-2-5-13-6-3-9-18-16(13)15/h2-12H,1H3,(H,20,21)
InChIKeyXIAMUSCGSIIPDH-UHFFFAOYSA-N
XLogP2.75
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 40543766
(2R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 5436399
(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136914131
(2R)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135763620
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
(2S)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136909081
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
CID 2789048
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
2-quinolin-8-yloxypentan-3-one
CID 64868229
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide (CID 4612942) is N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide is CC(Oc1cccc2cccnc12)C(=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide?
The InChIKey is XIAMUSCGSIIPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12(17(21)20-19-11-14-7-4-10-22-14)23-15-8-2-5-13-6-3-9-18-16(13)15/h2-12H,1H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide?
N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide has a molecular weight of 309.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 4612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).