N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide

C15H17N3O4 — CID 54685665

IUPACN'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNC(C)=O)c(O)c2ccccc21
InChIInChI=1S/C15H17N3O4/c1-3-8-18-11-7-5-4-6-10(11)13(20)12(15(18)22)14(21)17-16-9(2)19/h4-7,20H,3,8H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyIEYLIVHBUMAOKS-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.90
Rot. Bonds3

About N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide

N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide (PubChem CID 54685665) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
PubChem CID54685665
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNC(C)=O)c(O)c2ccccc21
InChIInChI=1S/C15H17N3O4/c1-3-8-18-11-7-5-4-6-10(11)13(20)12(15(18)22)14(21)17-16-9(2)19/h4-7,20H,3,8H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyIEYLIVHBUMAOKS-UHFFFAOYSA-N
XLogP0.90
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54686339
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54681788
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide?
The IUPAC name of N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide (CID 54685665) is N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide?
The canonical SMILES for N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide is CCCn1c(=O)c(C(=O)NNC(C)=O)c(O)c2ccccc21.
What is the InChIKey of N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide?
The InChIKey is IEYLIVHBUMAOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-8-18-11-7-5-4-6-10(11)13(20)12(15(18)22)14(21)17-16-9(2)19/h4-7,20H,3,8H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide?
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide has a molecular weight of 303.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide is sourced from PubChem (CID 54685665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).