N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride

C17H23Cl2FN4O — CID 119590226

IUPACN-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cc(F)cc2nccnc12)C1CCCCC1
InChIInChI=1S/C17H21FN4O.2ClH/c18-12-8-13(16-14(9-12)20-6-7-21-16)17(23)22-15(10-19)11-4-2-1-3-5-11;;/h6-9,11,15H,1-5,10,19H2,(H,22,23);2*1H
InChIKeyJMDXOIJFVZONBM-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.25
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride (PubChem CID 119590226) has the molecular formula C17H23Cl2FN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
PubChem CID119590226
Molecular FormulaC17H23Cl2FN4O
Molecular Weight389.30 g/mol
Exact Mass388.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cc(F)cc2nccnc12)C1CCCCC1
InChIInChI=1S/C17H21FN4O.2ClH/c18-12-8-13(16-14(9-12)20-6-7-21-16)17(23)22-15(10-19)11-4-2-1-3-5-11;;/h6-9,11,15H,1-5,10,19H2,(H,22,23);2*1H
InChIKeyJMDXOIJFVZONBM-UHFFFAOYSA-N
XLogP3.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106737293
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride (CID 119590226) is N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1cc(F)cc2nccnc12)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The InChIKey is JMDXOIJFVZONBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.2ClH/c18-12-8-13(16-14(9-12)20-6-7-21-16)17(23)22-15(10-19)11-4-2-1-3-5-11;;/h6-9,11,15H,1-5,10,19H2,(H,22,23);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride has a molecular weight of 389.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119590226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).