3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one

C17H23N3O2 — CID 22427162

IUPAC3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(C)C1Nc2ccc(C(=O)N3CCCC3)cc2NC1=O
InChIInChI=1S/C17H23N3O2/c1-3-11(2)15-16(21)19-14-10-12(6-7-13(14)18-15)17(22)20-8-4-5-9-20/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyAUPAXOIHIJEVGI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds3

About 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one

3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 22427162) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID22427162
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(C)C1Nc2ccc(C(=O)N3CCCC3)cc2NC1=O
InChIInChI=1S/C17H23N3O2/c1-3-11(2)15-16(21)19-14-10-12(6-7-13(14)18-15)17(22)20-8-4-5-9-20/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyAUPAXOIHIJEVGI-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427120
7-(morpholine-4-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427117
2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427174
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
2-methyl-6-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110806909
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride
CID 119467122
(4-aminophenyl)-(4-butan-2-ylazepan-1-yl)methanone
CID 123190801
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylic acid
CID 125145617
ethyl (3R)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate
CID 26710297

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 22427162) is 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one is CCC(C)C1Nc2ccc(C(=O)N3CCCC3)cc2NC1=O.
What is the InChIKey of 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is AUPAXOIHIJEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-11(2)15-16(21)19-14-10-12(6-7-13(14)18-15)17(22)20-8-4-5-9-20/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one?
3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 22427162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).