2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium

C17H24N3O4+ — CID 54697176

IUPAC2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
SMILESCCCn1c(=O)c(C(=O)NCC[NH2+]CCO)c(O)c2ccccc21
InChIInChI=1S/C17H23N3O4/c1-2-10-20-13-6-4-3-5-12(13)15(22)14(17(20)24)16(23)19-8-7-18-9-11-21/h3-6,18,21-22H,2,7-11H2,1H3,(H,19,23)/p+1
InChIKeyVEIXOMYONFBGTG-UHFFFAOYSA-O
MW334.40 g/mol
LogP-0.60
Rot. Bonds8

About 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium

2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium (PubChem CID 54697176) has the molecular formula C17H24N3O4+ and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
PubChem CID54697176
Molecular FormulaC17H24N3O4+
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
SMILESCCCn1c(=O)c(C(=O)NCC[NH2+]CCO)c(O)c2ccccc21
InChIInChI=1S/C17H23N3O4/c1-2-10-20-13-6-4-3-5-12(13)15(22)14(17(20)24)16(23)19-8-7-18-9-11-21/h3-6,18,21-22H,2,7-11H2,1H3,(H,19,23)/p+1
InChIKeyVEIXOMYONFBGTG-UHFFFAOYSA-O
XLogP-0.60
TPSA108.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium with MolForge

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Related Compounds

4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
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-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium (CID 54697176) is 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium is CCCn1c(=O)c(C(=O)NCC[NH2+]CCO)c(O)c2ccccc21.
What is the InChIKey of 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium?
The InChIKey is VEIXOMYONFBGTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O4/c1-2-10-20-13-6-4-3-5-12(13)15(22)14(17(20)24)16(23)19-8-7-18-9-11-21/h3-6,18,21-22H,2,7-11H2,1H3,(H,19,23)/p+1.
What are the key properties of 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium?
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium has a molecular weight of 334.40 g/mol, XLogP of -0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium is sourced from PubChem (CID 54697176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).