N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide

C18H21N3O — CID 98487912

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H21N3O/c1-11(14-9-12-6-7-13(14)8-12)20-18(22)17-10-19-15-4-2-3-5-16(15)21-17/h2-5,10-14H,6-9H2,1H3,(H,20,22)/t11-,12+,13+,14+/m1/s1
InChIKeyAOXJORRIYDCVDU-RFGFWPKPSA-N
MW295.39 g/mol
LogP3.18
Rot. Bonds3

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide (PubChem CID 98487912) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
PubChem CID98487912
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H21N3O/c1-11(14-9-12-6-7-13(14)8-12)20-18(22)17-10-19-15-4-2-3-5-16(15)21-17/h2-5,10-14H,6-9H2,1H3,(H,20,22)/t11-,12+,13+,14+/m1/s1
InChIKeyAOXJORRIYDCVDU-RFGFWPKPSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
CID 103186992
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639772
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 98431117
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide (CID 98487912) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide is C[C@@H](NC(=O)c1cnc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is AOXJORRIYDCVDU-RFGFWPKPSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11(14-9-12-6-7-13(14)8-12)20-18(22)17-10-19-15-4-2-3-5-16(15)21-17/h2-5,10-14H,6-9H2,1H3,(H,20,22)/t11-,12+,13+,14+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 98487912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).