4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one

C14H19N3O — CID 117030719

IUPAC4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC2CCNC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-16-10-14(18)17(9-11-6-7-15-8-11)13-5-3-2-4-12(13)16/h2-5,11,15H,6-10H2,1H3
InChIKeyUSSOSEIQJFYBMJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.08
Rot. Bonds2

About 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one

4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one (PubChem CID 117030719) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
PubChem CID117030719
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC2CCNC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-16-10-14(18)17(9-11-6-7-15-8-11)13-5-3-2-4-12(13)16/h2-5,11,15H,6-10H2,1H3
InChIKeyUSSOSEIQJFYBMJ-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82239891
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
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1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
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1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
5-(piperidin-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CID 84617917
2-(pyrrolidin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 80563899
2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 62372829
1,4-dimethyl-5-(piperidin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine
CID 119932653
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
CID 146675496
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
CID 63622899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one?
The IUPAC name of 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one (CID 117030719) is 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one is CN1CC(=O)N(CC2CCNC2)c2ccccc21.
What is the InChIKey of 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one?
The InChIKey is USSOSEIQJFYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-10-14(18)17(9-11-6-7-15-8-11)13-5-3-2-4-12(13)16/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one?
4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117030719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).