N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide

C21H20N4O — CID 167755656

IUPACN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)c1ccc2nccnc2c1
InChIInChI=1S/C21H20N4O/c26-21(15-6-7-18-19(10-15)23-9-8-22-18)24-20-16-12-25(13-17(16)20)11-14-4-2-1-3-5-14/h1-10,16-17,20H,11-13H2,(H,24,26)
InChIKeyJMDKAPKRQKJBJC-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.49
Rot. Bonds4

About N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide (PubChem CID 167755656) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
PubChem CID167755656
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)c1ccc2nccnc2c1
InChIInChI=1S/C21H20N4O/c26-21(15-6-7-18-19(10-15)23-9-8-22-18)24-20-16-12-25(13-17(16)20)11-14-4-2-1-3-5-14/h1-10,16-17,20H,11-13H2,(H,24,26)
InChIKeyJMDKAPKRQKJBJC-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoxaline-6-carboxamide
CID 90545791
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154764205
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 167986912
N-[(3S,4S)-1-benzyl-4-chloropyrrolidin-3-yl]benzamide
CID 101077011
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
benzyl N-[1-(quinoxaline-6-carbonyl)azetidin-3-yl]carbamate
CID 146024090
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 100745479
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide (CID 167755656) is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide is O=C(NC1C2CN(Cc3ccccc3)CC21)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide?
The InChIKey is JMDKAPKRQKJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(15-6-7-18-19(10-15)23-9-8-22-18)24-20-16-12-25(13-17(16)20)11-14-4-2-1-3-5-14/h1-10,16-17,20H,11-13H2,(H,24,26).
What are the key properties of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide?
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 167755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).