2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid

C15H20N2O3 — CID 84642269

IUPAC2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid
SMILESCC(C)c1cccc2c1N(C)C(=O)C(CC(=O)O)N2C
InChIInChI=1S/C15H20N2O3/c1-9(2)10-6-5-7-11-14(10)17(4)15(20)12(16(11)3)8-13(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19)
InChIKeyRDGNRWFZJWDBJZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.07
Rot. Bonds3

About 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid

2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid (PubChem CID 84642269) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid
PubChem CID84642269
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid
SMILESCC(C)c1cccc2c1N(C)C(=O)C(CC(=O)O)N2C
InChIInChI=1S/C15H20N2O3/c1-9(2)10-6-5-7-11-14(10)17(4)15(20)12(16(11)3)8-13(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19)
InChIKeyRDGNRWFZJWDBJZ-UHFFFAOYSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-fluoro-1,4-dimethyl-3-oxo-2H-quinoxalin-2-yl)acetic acid
CID 84634601
2-[4-(2-ethenylphenyl)-1-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid
CID 174303248
2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl)acetic acid
CID 82025745
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 51469362
5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 2954380
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
2-[2-methyl-3-oxo-2,8-di(propan-2-yl)-1,4-benzoxazin-4-yl]acetic acid
CID 70350072
2-[2-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]propanoic acid
CID 117442215

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid (CID 84642269) is 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid is CC(C)c1cccc2c1N(C)C(=O)C(CC(=O)O)N2C.
What is the InChIKey of 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid?
The InChIKey is RDGNRWFZJWDBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)10-6-5-7-11-14(10)17(4)15(20)12(16(11)3)8-13(18)19/h5-7,9,12H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid?
2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-3-oxo-5-propan-2-yl-2H-quinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84642269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).