5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide

C15H17N3O3 — CID 107315431

IUPAC5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc3cccnc3c2)O1
InChIInChI=1S/C15H17N3O3/c16-18-15(19)14-6-5-12(21-14)9-20-11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2,(H,18,19)
InChIKeyIUIGIGFRDRUVPX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.15
Rot. Bonds4

About 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide

5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide (PubChem CID 107315431) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
PubChem CID107315431
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc3cccnc3c2)O1
InChIInChI=1S/C15H17N3O3/c16-18-15(19)14-6-5-12(21-14)9-20-11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2,(H,18,19)
InChIKeyIUIGIGFRDRUVPX-UHFFFAOYSA-N
XLogP1.15
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
2-quinolin-7-yloxyacetohydrazide
CID 107315402
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
CID 116589113
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
CID 107314695

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide (CID 107315431) is 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2ccc3cccnc3c2)O1.
What is the InChIKey of 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide?
The InChIKey is IUIGIGFRDRUVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-18-15(19)14-6-5-12(21-14)9-20-11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2,(H,18,19).
What are the key properties of 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide?
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 107315431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).