[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride

C16H22Cl2N4O — CID 44666494

IUPAC[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
SMILESCCC(C)[C@@H]([NH3+])C(=O)N/N=C/c1cccc2cccnc12.Cl.[Cl-]
InChIInChI=1S/C16H20N4O.2ClH/c1-3-11(2)14(17)16(21)20-19-10-13-7-4-6-12-8-5-9-18-15(12)13;;/h4-11,14H,3,17H2,1-2H3,(H,20,21);2*1H/b19-10+;;/t11?,14-;;/m1../s1
InChIKeyJIPGJTILYMBNGC-AOGSRTEOSA-N
MW357.29 g/mol
LogP-1.23
Rot. Bonds5

About [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride

[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride (PubChem CID 44666494) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride.

Molecular Properties

Compound Name[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
PubChem CID44666494
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
SMILESCCC(C)[C@@H]([NH3+])C(=O)N/N=C/c1cccc2cccnc12.Cl.[Cl-]
InChIInChI=1S/C16H20N4O.2ClH/c1-3-11(2)14(17)16(21)20-19-10-13-7-4-6-12-8-5-9-18-15(12)13;;/h4-11,14H,3,17H2,1-2H3,(H,20,21);2*1H/b19-10+;;/t11?,14-;;/m1../s1
InChIKeyJIPGJTILYMBNGC-AOGSRTEOSA-N
XLogP-1.23
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R,3S)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 51553758
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126024146
tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]butan-2-yl]carbamate
CID 6885080
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199
2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 4066919
(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136914131
(2R)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135763620
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 3509073

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride?
The IUPAC name of [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride (CID 44666494) is [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride.
What is the SMILES notation for [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride?
The canonical SMILES for [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride is CCC(C)[C@@H]([NH3+])C(=O)N/N=C/c1cccc2cccnc12.Cl.[Cl-].
What is the InChIKey of [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride?
The InChIKey is JIPGJTILYMBNGC-AOGSRTEOSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c1-3-11(2)14(17)16(21)20-19-10-13-7-4-6-12-8-5-9-18-15(12)13;;/h4-11,14H,3,17H2,1-2H3,(H,20,21);2*1H/b19-10+;;/t11?,14-;;/m1../s1.
What are the key properties of [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride?
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride has a molecular weight of 357.29 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride is sourced from PubChem (CID 44666494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).