2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid

C13H16N2O3 — CID 82157268

IUPAC2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
SMILESCc1cc2c(cc1C)N(CC(=O)O)C(=O)C(C)N2
InChIInChI=1S/C13H16N2O3/c1-7-4-10-11(5-8(7)2)15(6-12(16)17)13(18)9(3)14-10/h4-5,9,14H,6H2,1-3H3,(H,16,17)
InChIKeyFPIKHPNTEVDYPF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.54
Rot. Bonds2

About 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid

2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid (PubChem CID 82157268) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
PubChem CID82157268
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
SMILESCc1cc2c(cc1C)N(CC(=O)O)C(=O)C(C)N2
InChIInChI=1S/C13H16N2O3/c1-7-4-10-11(5-8(7)2)15(6-12(16)17)13(18)9(3)14-10/h4-5,9,14H,6H2,1-3H3,(H,16,17)
InChIKeyFPIKHPNTEVDYPF-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
3-(6,7-dimethoxy-3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157446
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157244
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
N-(2,6-dimethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156922
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid (CID 82157268) is 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid is Cc1cc2c(cc1C)N(CC(=O)O)C(=O)C(C)N2.
What is the InChIKey of 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid?
The InChIKey is FPIKHPNTEVDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-4-10-11(5-8(7)2)15(6-12(16)17)13(18)9(3)14-10/h4-5,9,14H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid?
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid is sourced from PubChem (CID 82157268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).