N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C20H27N3O3 — CID 98294771

IUPACN-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-4-6-7-10-13-23-16-12-9-8-11-15(16)18(24)17(20(23)26)19(25)22-21-14(3)5-2/h8-9,11-12,24H,4-7,10,13H2,1-3H3,(H,22,25)/b21-14-
InChIKeyFOZDSHOYYPLIOB-STZFKDTASA-N
MW357.45 g/mol
LogP3.80
Rot. Bonds8

About N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 98294771) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID98294771
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-4-6-7-10-13-23-16-12-9-8-11-15(16)18(24)17(20(23)26)19(25)22-21-14(3)5-2/h8-9,11-12,24H,4-7,10,13H2,1-3H3,(H,22,25)/b21-14-
InChIKeyFOZDSHOYYPLIOB-STZFKDTASA-N
XLogP3.80
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.80
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'}

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Related Compounds

N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
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
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
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
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 98294771) is N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is FOZDSHOYYPLIOB-STZFKDTASA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-6-7-10-13-23-16-12-9-8-11-15(16)18(24)17(20(23)26)19(25)22-21-14(3)5-2/h8-9,11-12,24H,4-7,10,13H2,1-3H3,(H,22,25)/b21-14-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 98294771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).