6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide

C14H17N3O4 — CID 50877325

IUPAC6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCCOc1cc2[nH]cc(C(=O)NN)c(=O)c2cc1OCC
InChIInChI=1S/C14H17N3O4/c1-3-20-11-5-8-10(6-12(11)21-4-2)16-7-9(13(8)18)14(19)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVITULHULMLUGCY-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.93
Rot. Bonds5

About 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide

6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 50877325) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID50877325
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCCOc1cc2[nH]cc(C(=O)NN)c(=O)c2cc1OCC
InChIInChI=1S/C14H17N3O4/c1-3-20-11-5-8-10(6-12(11)21-4-2)16-7-9(13(8)18)14(19)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVITULHULMLUGCY-UHFFFAOYSA-N
XLogP0.93
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
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

3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
6,7-diethoxy-3-iodo-1H-quinolin-4-one
CID 102614933
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 154116681
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
(7-acetyloxy-3-carbonochloridoyl-4-oxo-1H-quinolin-6-yl) acetate
CID 13131775
ethyl 6-dodecoxy-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141170084
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
2-[(6-ethoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl-diethylazanium
CID 7391284
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443
ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide (CID 50877325) is 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide is CCOc1cc2[nH]cc(C(=O)NN)c(=O)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is VITULHULMLUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-20-11-5-8-10(6-12(11)21-4-2)16-7-9(13(8)18)14(19)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide?
6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 50877325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).