[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone

C15H18N4O — CID 104615552

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESCC1CC(CN)CN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H18N4O/c1-10-7-11(8-16)9-19(10)15(20)12-3-2-4-13-14(12)18-6-5-17-13/h2-6,10-11H,7-9,16H2,1H3
InChIKeyOCCVIUNUFGQLBY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.44
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 104615552) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID104615552
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESCC1CC(CN)CN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H18N4O/c1-10-7-11(8-16)9-19(10)15(20)12-3-2-4-13-14(12)18-6-5-17-13/h2-6,10-11H,7-9,16H2,1H3
InChIKeyOCCVIUNUFGQLBY-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 115491771
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 129350056
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone (CID 104615552) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone is CC1CC(CN)CN1C(=O)c1cccc2nccnc12.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is OCCVIUNUFGQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-11(8-16)9-19(10)15(20)12-3-2-4-13-14(12)18-6-5-17-13/h2-6,10-11H,7-9,16H2,1H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 104615552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).