2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium

C12H18N3O3+ — CID 54720065

IUPAC2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium
SMILES[NH3+]CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C12H17N3O3/c13-5-6-14-11(17)9-10(16)7-3-1-2-4-8(7)15-12(9)18/h1-6,13H2,(H,14,17)(H2,15,16,18)/p+1
InChIKeyQASJHHSCDNELRH-UHFFFAOYSA-O
MW252.29 g/mol
LogP-1.07
Rot. Bonds3

About 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium

2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium (PubChem CID 54720065) has the molecular formula C12H18N3O3+ and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium.

Molecular Properties

Compound Name2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium
PubChem CID54720065
Molecular FormulaC12H18N3O3+
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium
SMILES[NH3+]CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C12H17N3O3/c13-5-6-14-11(17)9-10(16)7-3-1-2-4-8(7)15-12(9)18/h1-6,13H2,(H,14,17)(H2,15,16,18)/p+1
InChIKeyQASJHHSCDNELRH-UHFFFAOYSA-O
XLogP-1.07
TPSA109.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium with MolForge

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Related Compounds

N-((1-ethylpyrrolidin-2-yl)methyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54679449
2,4-dihydroxy-N-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684651
N-(3-(diethylamino)propyl)-4-hydroxy-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide hydrochloride
CID 54707976
N-ethyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54676144
2-(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamido)-N,N,N-trimethylethanaminium iodide
CID 54720053
N-(2-(dimethylamino)ethyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54682388
N-[3-(diethylamino)propyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684656
N-[2-(ethylamino)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684657
N-[2-(diethylamino)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54685930
4-hydroxy-N-methyl-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54695777
4-Hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54682391
N-cyclopentyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium?
The IUPAC name of 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium (CID 54720065) is 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium.
What is the SMILES notation for 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium?
The canonical SMILES for 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium is [NH3+]CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium?
The InChIKey is QASJHHSCDNELRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N3O3/c13-5-6-14-11(17)9-10(16)7-3-1-2-4-8(7)15-12(9)18/h1-6,13H2,(H,14,17)(H2,15,16,18)/p+1.
What are the key properties of 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium?
2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium has a molecular weight of 252.29 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium is sourced from PubChem (CID 54720065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).