N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide

C12H13N3O2 — CID 121014787

IUPACN-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCCN(N)C(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13N3O2/c1-2-15(13)12(17)9-7-14-10-6-4-3-5-8(10)11(9)16/h3-7H,2,13H2,1H3,(H,14,16)
InChIKeyLKNHFXMUPHFXRQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.86
Rot. Bonds2

About N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide

N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 121014787) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound NameN-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID121014787
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCCN(N)C(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13N3O2/c1-2-15(13)12(17)9-7-14-10-6-4-3-5-8(10)11(9)16/h3-7H,2,13H2,1H3,(H,14,16)
InChIKeyLKNHFXMUPHFXRQ-UHFFFAOYSA-N
XLogP0.86
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935
2-[(4-oxo-1H-quinoline-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271415
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
3-ethyl-1H-quinolin-4-one
CID 10374897
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 146142936
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide (CID 121014787) is N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide is CCN(N)C(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is LKNHFXMUPHFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15(13)12(17)9-7-14-10-6-4-3-5-8(10)11(9)16/h3-7H,2,13H2,1H3,(H,14,16).
What are the key properties of N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide?
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 231.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 121014787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).