N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C17H21N3O3 — CID 98171561

IUPACN-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-4-10-20-13-9-7-6-8-12(13)15(21)14(17(20)23)16(22)19-18-11(3)5-2/h6-9,21H,4-5,10H2,1-3H3,(H,19,22)/b18-11-
InChIKeyVYGHIRYTACFNIM-WQRHYEAKSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds5

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

N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 98171561) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID98171561
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-4-10-20-13-9-7-6-8-12(13)15(21)14(17(20)23)16(22)19-18-11(3)5-2/h6-9,21H,4-5,10H2,1-3H3,(H,19,22)/b18-11-
InChIKeyVYGHIRYTACFNIM-WQRHYEAKSA-N
XLogP2.63
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171553
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
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-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54681792
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 98171561) is N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)N/N=C(/C)CC)c(O)c2ccccc21.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is VYGHIRYTACFNIM-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-10-20-13-9-7-6-8-12(13)15(21)14(17(20)23)16(22)19-18-11(3)5-2/h6-9,21H,4-5,10H2,1-3H3,(H,19,22)/b18-11-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.63, 5 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]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 98171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).