N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide

C22H17N3O4 — CID 9219810

IUPACN'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2n1
InChIInChI=1S/C22H17N3O4/c26-21(19-12-10-15-6-4-5-9-18(15)23-19)24-25-22(27)20-13-11-17(29-20)14-28-16-7-2-1-3-8-16/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyCPXFBOKLMBSPOL-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.48
Rot. Bonds5

About N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide

N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide (PubChem CID 9219810) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
PubChem CID9219810
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2n1
InChIInChI=1S/C22H17N3O4/c26-21(19-12-10-15-6-4-5-9-18(15)23-19)24-25-22(27)20-13-11-17(29-20)14-28-16-7-2-1-3-8-16/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyCPXFBOKLMBSPOL-UHFFFAOYSA-N
XLogP3.48
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
5-(phenoxymethyl)-N-quinolin-3-ylfuran-2-carboxamide
CID 31031057
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
CID 46690618
1-(2-methoxyethyl)-6-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridazine-3-carbohydrazide
CID 24515498
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836

Frequently Asked Questions

What is the IUPAC name of N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide (CID 9219810) is N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2n1.
What is the InChIKey of N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is CPXFBOKLMBSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-21(19-12-10-15-6-4-5-9-18(15)23-19)24-25-22(27)20-13-11-17(29-20)14-28-16-7-2-1-3-8-16/h1-13H,14H2,(H,24,26)(H,25,27).
What are the key properties of N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide?
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 387.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 9219810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).