N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride

C16H23Cl2N3O — CID 119641919

IUPACN-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C16H21N3O.2ClH/c1-3-16(17,4-2)11-19-15(20)13-9-5-7-12-8-6-10-18-14(12)13;;/h5-10H,3-4,11,17H2,1-2H3,(H,19,20);2*1H
InChIKeyJABHQVMXZPHCSH-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.33
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride (PubChem CID 119641919) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
PubChem CID119641919
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC NameN-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc2cccnc12.Cl.Cl
InChIInChI=1S/C16H21N3O.2ClH/c1-3-16(17,4-2)11-19-15(20)13-9-5-7-12-8-6-10-18-14(12)13;;/h5-10H,3-4,11,17H2,1-2H3,(H,19,20);2*1H
InChIKeyJABHQVMXZPHCSH-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride (CID 119641919) is N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1cccc2cccnc12.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride?
The InChIKey is JABHQVMXZPHCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.2ClH/c1-3-16(17,4-2)11-19-15(20)13-9-5-7-12-8-6-10-18-14(12)13;;/h5-10H,3-4,11,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride has a molecular weight of 344.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 119641919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).