2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline

C17H19N5 — CID 163346437

IUPAC2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
SMILESCCc1nccn1CC1CN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C17H19N5/c1-2-16-18-7-8-21(16)10-13-11-22(12-13)17-9-19-14-5-3-4-6-15(14)20-17/h3-9,13H,2,10-12H2,1H3
InChIKeyWYJUSABEUWIZCR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.53
Rot. Bonds4

About 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline (PubChem CID 163346437) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
PubChem CID163346437
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
SMILESCCc1nccn1CC1CN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C17H19N5/c1-2-16-18-7-8-21(16)10-13-11-22(12-13)17-9-19-14-5-3-4-6-15(14)20-17/h3-9,13H,2,10-12H2,1H3
InChIKeyWYJUSABEUWIZCR-UHFFFAOYSA-N
XLogP2.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole
CID 163346415
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
CID 163349539
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927143
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
CID 70740842
3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
CID 163349021
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-4-methylsulfonyl-1,3-benzothiazole
CID 163346496

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline (CID 163346437) is 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline is CCc1nccn1CC1CN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline?
The InChIKey is WYJUSABEUWIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-16-18-7-8-21(16)10-13-11-22(12-13)17-9-19-14-5-3-4-6-15(14)20-17/h3-9,13H,2,10-12H2,1H3.
What are the key properties of 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline?
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline has a molecular weight of 293.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline is sourced from PubChem (CID 163346437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).