6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide

C11H11N3O3 — CID 95233454

IUPAC6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCOc1ccc2[nH]cc(C(=O)NN)c(=O)c2c1
InChIInChI=1S/C11H11N3O3/c1-17-6-2-3-9-7(4-6)10(15)8(5-13-9)11(16)14-12/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyCHBUWKPUCKIYGS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.14
Rot. Bonds2

About 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide

6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 95233454) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID95233454
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCOc1ccc2[nH]cc(C(=O)NN)c(=O)c2c1
InChIInChI=1S/C11H11N3O3/c1-17-6-2-3-9-7(4-6)10(15)8(5-13-9)11(16)14-12/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyCHBUWKPUCKIYGS-UHFFFAOYSA-N
XLogP0.14
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
CID 89426524
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 43831767

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide (CID 95233454) is 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide is COc1ccc2[nH]cc(C(=O)NN)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is CHBUWKPUCKIYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-6-2-3-9-7(4-6)10(15)8(5-13-9)11(16)14-12/h2-5H,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide?
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 233.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 95233454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).