2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide

C15H14N4O3 — CID 78835133

IUPAC2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide
SMILESO=C1CC(C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2N1
InChIInChI=1S/C15H14N4O3/c20-13-8-10(9-4-1-2-5-11(9)17-13)14(21)18-19-15(22)12-6-3-7-16-12/h1-7,10,16H,8H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyOBOQABBTGDIUTH-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.90
Rot. Bonds2

About 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide

2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide (PubChem CID 78835133) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide
PubChem CID78835133
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide
SMILESO=C1CC(C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2N1
InChIInChI=1S/C15H14N4O3/c20-13-8-10(9-4-1-2-5-11(9)17-13)14(21)18-19-15(22)12-6-3-7-16-12/h1-7,10,16H,8H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyOBOQABBTGDIUTH-UHFFFAOYSA-N
XLogP0.90
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide?
The IUPAC name of 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide (CID 78835133) is 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide.
What is the SMILES notation for 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide?
The canonical SMILES for 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide is O=C1CC(C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2N1.
What is the InChIKey of 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide?
The InChIKey is OBOQABBTGDIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-8-10(9-4-1-2-5-11(9)17-13)14(21)18-19-15(22)12-6-3-7-16-12/h1-7,10,16H,8H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide?
2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide has a molecular weight of 298.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide is sourced from PubChem (CID 78835133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).