1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide

C20H20N4O3 — CID 98171554

IUPAC1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-3-12-24-16-10-5-4-9-15(16)18(25)17(20(24)27)19(26)23-22-13-14-8-6-7-11-21-14/h4-11,13,25H,2-3,12H2,1H3,(H,23,26)/b22-13-
InChIKeyQYZSRASFJCMRGD-XKZIYDEJSA-N
MW364.41 g/mol
LogP2.67
Rot. Bonds6

About 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide

1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide (PubChem CID 98171554) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
PubChem CID98171554
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-3-12-24-16-10-5-4-9-15(16)18(25)17(20(24)27)19(26)23-22-13-14-8-6-7-11-21-14/h4-11,13,25H,2-3,12H2,1H3,(H,23,26)/b22-13-
InChIKeyQYZSRASFJCMRGD-XKZIYDEJSA-N
XLogP2.67
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171553
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 135641524
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54681792
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
4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
CID 136825000
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide (CID 98171554) is 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The InChIKey is QYZSRASFJCMRGD-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-3-12-24-16-10-5-4-9-15(16)18(25)17(20(24)27)19(26)23-22-13-14-8-6-7-11-21-14/h4-11,13,25H,2-3,12H2,1H3,(H,23,26)/b22-13-.
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 98171554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).