3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 119868760

IUPAC3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O.2ClH/c18-15-8-2-5-13(10-15)17(21)20-11-14-6-1-4-12-7-3-9-19-16(12)14;;/h1,3-4,6-7,9,13,15H,2,5,8,10-11,18H2,(H,20,21);2*1H
InChIKeyRHOKBQCHFULXJN-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.21
Rot. Bonds3

About 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119868760) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119868760
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O.2ClH/c18-15-8-2-5-13(10-15)17(21)20-11-14-6-1-4-12-7-3-9-19-16(12)14;;/h1,3-4,6-7,9,13,15H,2,5,8,10-11,18H2,(H,20,21);2*1H
InChIKeyRHOKBQCHFULXJN-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-(quinolin-8-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119868757
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 81427878
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838744
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-(quinolin-8-ylmethyl)azepane-2-carboxamide
CID 81427479
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119868760) is 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCc2cccc3cccnc23)C1.
What is the InChIKey of 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is RHOKBQCHFULXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c18-15-8-2-5-13(10-15)17(21)20-11-14-6-1-4-12-7-3-9-19-16(12)14;;/h1,3-4,6-7,9,13,15H,2,5,8,10-11,18H2,(H,20,21);2*1H.
What are the key properties of 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119868760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).