2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline

C18H21N5 — CID 100692414

IUPAC2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCC[C@H]1Cn1ccnc1C
InChIInChI=1S/C18H21N5/c1-13-18(21-17-8-4-3-7-16(17)20-13)23-10-5-6-15(23)12-22-11-9-19-14(22)2/h3-4,7-9,11,15H,5-6,10,12H2,1-2H3/t15-/m0/s1
InChIKeyLASUFYYKDMZSOK-HNNXBMFYSA-N
MW307.40 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline

2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline (PubChem CID 100692414) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
PubChem CID100692414
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCC[C@H]1Cn1ccnc1C
InChIInChI=1S/C18H21N5/c1-13-18(21-17-8-4-3-7-16(17)20-13)23-10-5-6-15(23)12-22-11-9-19-14(22)2/h3-4,7-9,11,15H,5-6,10,12H2,1-2H3/t15-/m0/s1
InChIKeyLASUFYYKDMZSOK-HNNXBMFYSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
2-[2-(2-chloroethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392658
N-[[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591635
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
2-[2-(bromomethyl)azepan-1-yl]-3-methylquinoxaline
CID 116638816
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756
N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 133428943
2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
CID 100692453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline?
The IUPAC name of 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline (CID 100692414) is 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline is Cc1nc2ccccc2nc1N1CCC[C@H]1Cn1ccnc1C.
What is the InChIKey of 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline?
The InChIKey is LASUFYYKDMZSOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-18(21-17-8-4-3-7-16(17)20-13)23-10-5-6-15(23)12-22-11-9-19-14(22)2/h3-4,7-9,11,15H,5-6,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline?
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 100692414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).