4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide

C17H22N3O4+ — CID 54720069

IUPAC4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O4/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23)/p+1
InChIKeyNAHXNGVXGSRKIJ-UHFFFAOYSA-O
MW332.38 g/mol
LogP-0.73
Rot. Bonds5

About 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54720069) has the molecular formula C17H22N3O4+ and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54720069
Molecular FormulaC17H22N3O4+
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O4/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23)/p+1
InChIKeyNAHXNGVXGSRKIJ-UHFFFAOYSA-O
XLogP-0.73
TPSA95.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Roquinimex
CID 54676478
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
Desidustat
CID 75593290
3-Quinolinecarboxamide, 1,2-dihydro-N-ethyl-4-hydroxy-2-oxo-
CID 54680440
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid methylamide
CID 54676926
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
CID 54681514

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide (CID 54720069) is 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide is O=C(NCCC[NH+]1CCOCC1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NAHXNGVXGSRKIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O4/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23)/p+1.
What are the key properties of 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54720069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).