[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

C15H18N4O — CID 115316307

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCNCC1CCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18N4O/c1-16-10-12-3-2-8-19(12)15(20)11-4-5-13-14(9-11)18-7-6-17-13/h4-7,9,12,16H,2-3,8,10H2,1H3
InChIKeyXXAULQRVTNHKIZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.45
Rot. Bonds3

About [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 115316307) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID115316307
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCNCC1CCCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18N4O/c1-16-10-12-3-2-8-19(12)15(20)11-4-5-13-14(9-11)18-7-6-17-13/h4-7,9,12,16H,2-3,8,10H2,1H3
InChIKeyXXAULQRVTNHKIZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(4-bromo-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113396869
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
(4-chloro-3-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651989
(4-bromo-3-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484830
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (CID 115316307) is [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is CNCC1CCCN1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is XXAULQRVTNHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-10-12-3-2-8-19(12)15(20)11-4-5-13-14(9-11)18-7-6-17-13/h4-7,9,12,16H,2-3,8,10H2,1H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 115316307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).