[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone

C16H19N3O2 — CID 74245280

IUPAC[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESCCOCC1CCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C16H19N3O2/c1-2-21-11-12-5-4-10-19(12)16(20)13-6-3-7-14-15(13)18-9-8-17-14/h3,6-9,12H,2,4-5,10-11H2,1H3
InChIKeyVQKQLPGVKGNKSK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.27
Rot. Bonds4

About [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone

[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 74245280) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID74245280
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESCCOCC1CCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C16H19N3O2/c1-2-21-11-12-5-4-10-19(12)16(20)13-6-3-7-14-15(13)18-9-8-17-14/h3,6-9,12H,2,4-5,10-11H2,1H3
InChIKeyVQKQLPGVKGNKSK-UHFFFAOYSA-N
XLogP2.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97434812
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487916
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
3-ethoxy-5-[(2R)-2-(ethoxymethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 58737848

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone (CID 74245280) is [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone is CCOCC1CCCN1C(=O)c1cccc2nccnc12.
What is the InChIKey of [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is VQKQLPGVKGNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-11-12-5-4-10-19(12)16(20)13-6-3-7-14-15(13)18-9-8-17-14/h3,6-9,12H,2,4-5,10-11H2,1H3.
What are the key properties of [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 74245280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).