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

C12H14N2O3 — CID 84627682

IUPAC2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRMEGZAJRJXLRCS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.23
Rot. Bonds2

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

2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (PubChem CID 84627682) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
PubChem CID84627682
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRMEGZAJRJXLRCS-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84629074
2-(6-tert-butyl-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84642262
3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 82790655
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid
CID 135656063
2-(4,7-dimethyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 54144587
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl)acetic acid
CID 82025526
2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 82276200
3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
CID 115098560
1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid
CID 174947124
3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571880

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (CID 84627682) is 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is Cc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2.
What is the InChIKey of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The InChIKey is RMEGZAJRJXLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84627682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).