4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide

C15H17N3O4 — CID 54703728

IUPAC4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-2-3-8-11(19)17-18-15(22)12-13(20)9-6-4-5-7-10(9)16-14(12)21/h4-7H,2-3,8H2,1H3,(H,17,19)(H,18,22)(H2,16,20,21)
InChIKeyLVXHQBXTVVRSTB-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.18
Rot. Bonds4

About 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide

4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide (PubChem CID 54703728) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide
PubChem CID54703728
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-2-3-8-11(19)17-18-15(22)12-13(20)9-6-4-5-7-10(9)16-14(12)21/h4-7H,2-3,8H2,1H3,(H,17,19)(H,18,22)(H2,16,20,21)
InChIKeyLVXHQBXTVVRSTB-UHFFFAOYSA-N
XLogP1.18
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CID 54694513
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
2-{[3-(2-Butanoylhydrazinyl)-3-oxopropanoyl]amino}benzoic acid
CID 1627491
2-{[3-Oxo-3-(2-pentanoylhydrazinyl)propanoyl]amino}benzoic acid
CID 1859443

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide (CID 54703728) is 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide is CCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide?
The InChIKey is LVXHQBXTVVRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-3-8-11(19)17-18-15(22)12-13(20)9-6-4-5-7-10(9)16-14(12)21/h4-7H,2-3,8H2,1H3,(H,17,19)(H,18,22)(H2,16,20,21).
What are the key properties of 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide?
4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide has a molecular weight of 303.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N'-pentanoyl-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54703728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).