N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

C19H25N3O3 — CID 54741755

IUPACN-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21
InChIInChI=1S/C19H25N3O3/c1-4-6-9-12-22-15-11-8-7-10-14(15)17(23)16(19(22)25)18(24)21-20-13(3)5-2/h7-8,10-11,23H,4-6,9,12H2,1-3H3,(H,21,24)/b20-13+
InChIKeyFOHASFSSWRSLJS-DEDYPNTBSA-N
MW343.43 g/mol
LogP3.41
Rot. Bonds7

About N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54741755) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54741755
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21
InChIInChI=1S/C19H25N3O3/c1-4-6-9-12-22-15-11-8-7-10-14(15)17(23)16(19(22)25)18(24)21-20-13(3)5-2/h7-8,10-11,23H,4-6,9,12H2,1-3H3,(H,21,24)/b20-13+
InChIKeyFOHASFSSWRSLJS-DEDYPNTBSA-N
XLogP3.41
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54741755) is N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is FOHASFSSWRSLJS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-6-9-12-22-15-11-8-7-10-14(15)17(23)16(19(22)25)18(24)21-20-13(3)5-2/h7-8,10-11,23H,4-6,9,12H2,1-3H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54741755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).