3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid

C15H18N2O3 — CID 2432558

IUPAC3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
SMILESCCCCn1c(=O)c(CCC(=O)O)nc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-3-10-17-13-7-5-4-6-11(13)16-12(15(17)20)8-9-14(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyOPPOBVTXRUNODU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds6

About 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid

3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid (PubChem CID 2432558) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
PubChem CID2432558
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
SMILESCCCCn1c(=O)c(CCC(=O)O)nc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-3-10-17-13-7-5-4-6-11(13)16-12(15(17)20)8-9-14(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyOPPOBVTXRUNODU-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637882
[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637785
ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
CID 55308605
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55420742
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637836
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2414714
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308567

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid?
The IUPAC name of 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid (CID 2432558) is 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid is CCCCn1c(=O)c(CCC(=O)O)nc2ccccc21.
What is the InChIKey of 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid?
The InChIKey is OPPOBVTXRUNODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-3-10-17-13-7-5-4-6-11(13)16-12(15(17)20)8-9-14(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid?
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid is sourced from PubChem (CID 2432558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).