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

C19H32N3O3+ — CID 54720061

IUPACdiethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H31N3O3/c1-4-22(5-2)12-8-9-13(3)20-18(24)16-17(23)14-10-6-7-11-15(14)21-19(16)25/h13H,4-12H2,1-3H3,(H,20,24)(H2,21,23,25)/p+1/t13-/m1/s1
InChIKeyXCBJOQGXKIDNTD-CYBMUJFWSA-O
MW350.48 g/mol
LogP0.78
Rot. Bonds8

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

diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium (PubChem CID 54720061) has the molecular formula C19H32N3O3+ and a molecular weight of 350.48 g/mol. Its IUPAC name is diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium
PubChem CID54720061
Molecular FormulaC19H32N3O3+
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Namediethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H31N3O3/c1-4-22(5-2)12-8-9-13(3)20-18(24)16-17(23)14-10-6-7-11-15(14)21-19(16)25/h13H,4-12H2,1-3H3,(H,20,24)(H2,21,23,25)/p+1/t13-/m1/s1
InChIKeyXCBJOQGXKIDNTD-CYBMUJFWSA-O
XLogP0.78
TPSA86.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium?
The IUPAC name of diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium (CID 54720061) is diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium?
The canonical SMILES for diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium is CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium?
The InChIKey is XCBJOQGXKIDNTD-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H31N3O3/c1-4-22(5-2)12-8-9-13(3)20-18(24)16-17(23)14-10-6-7-11-15(14)21-19(16)25/h13H,4-12H2,1-3H3,(H,20,24)(H2,21,23,25)/p+1/t13-/m1/s1.
What are the key properties of diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium?
diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium has a molecular weight of 350.48 g/mol, XLogP of 0.78, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium is sourced from PubChem (CID 54720061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).