1-formyl-2H-quinoline-3-carbohydrazide

C11H11N3O2 — CID 141301264

IUPAC1-formyl-2H-quinoline-3-carbohydrazide
SMILESNNC(=O)C1=Cc2ccccc2N(C=O)C1
InChIInChI=1S/C11H11N3O2/c12-13-11(16)9-5-8-3-1-2-4-10(8)14(6-9)7-15/h1-5,7H,6,12H2,(H,13,16)
InChIKeyLSOGYOJOEVIKRI-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.04
Rot. Bonds2

About 1-formyl-2H-quinoline-3-carbohydrazide

1-formyl-2H-quinoline-3-carbohydrazide (PubChem CID 141301264) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-formyl-2H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name1-formyl-2H-quinoline-3-carbohydrazide
PubChem CID141301264
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-formyl-2H-quinoline-3-carbohydrazide
SMILESNNC(=O)C1=Cc2ccccc2N(C=O)C1
InChIInChI=1S/C11H11N3O2/c12-13-11(16)9-5-8-3-1-2-4-10(8)14(6-9)7-15/h1-5,7H,6,12H2,(H,13,16)
InChIKeyLSOGYOJOEVIKRI-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1H-isoquinoline-2-carbaldehyde
CID 151831457
methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
CID 102442420
1-pyridin-4-yl-2H-quinoline-3-carboxamide
CID 145221947
2-phenylsulfanylacetohydrazide
CID 7037418
1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid
CID 70354342
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
2-morpholin-4-ylbenzohydrazide
CID 7148386
anthracene-9,10-dicarbohydrazide
CID 139611931
benzohydrazide;molybdenum
CID 162076561
(5E)-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid
CID 141077666
1-(oxolan-3-ylmethoxy)-2H-quinoline-3-carboxamide
CID 172806443
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620

Frequently Asked Questions

What is the IUPAC name of 1-formyl-2H-quinoline-3-carbohydrazide?
The IUPAC name of 1-formyl-2H-quinoline-3-carbohydrazide (CID 141301264) is 1-formyl-2H-quinoline-3-carbohydrazide.
What is the SMILES notation for 1-formyl-2H-quinoline-3-carbohydrazide?
The canonical SMILES for 1-formyl-2H-quinoline-3-carbohydrazide is NNC(=O)C1=Cc2ccccc2N(C=O)C1.
What is the InChIKey of 1-formyl-2H-quinoline-3-carbohydrazide?
The InChIKey is LSOGYOJOEVIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-13-11(16)9-5-8-3-1-2-4-10(8)14(6-9)7-15/h1-5,7H,6,12H2,(H,13,16).
What are the key properties of 1-formyl-2H-quinoline-3-carbohydrazide?
1-formyl-2H-quinoline-3-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-2H-quinoline-3-carbohydrazide is sourced from PubChem (CID 141301264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).