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

C19H18N4O3 — CID 98171553

IUPAC4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H18N4O3/c1-2-11-23-15-9-4-3-8-14(15)17(24)16(19(23)26)18(25)22-21-12-13-7-5-6-10-20-13/h3-10,12,24H,2,11H2,1H3,(H,22,25)/b21-12-
InChIKeyAFDYCWPOXUZAMN-MTJSOVHGSA-N
MW350.38 g/mol
LogP2.28
Rot. Bonds5

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

4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide (PubChem CID 98171553) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
PubChem CID98171553
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C19H18N4O3/c1-2-11-23-15-9-4-3-8-14(15)17(24)16(19(23)26)18(25)22-21-12-13-7-5-6-10-20-13/h3-10,12,24H,2,11H2,1H3,(H,22,25)/b21-12-
InChIKeyAFDYCWPOXUZAMN-MTJSOVHGSA-N
XLogP2.28
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.28
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

1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171554
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54681792
4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
CID 136825000
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 135641524
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide (CID 98171553) is 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide is CCCn1c(=O)c(C(=O)N/N=C\c2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
The InChIKey is AFDYCWPOXUZAMN-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-11-23-15-9-4-3-8-14(15)17(24)16(19(23)26)18(25)22-21-12-13-7-5-6-10-20-13/h3-10,12,24H,2,11H2,1H3,(H,22,25)/b21-12-.
What are the key properties of 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 98171553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).