2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid

C16H16N2O2 — CID 63778034

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
SMILESCN1CCN(c2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17-10-11-18(15-9-5-4-8-14(15)17)13-7-3-2-6-12(13)16(19)20/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyUXRPAKKHIAWBON-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid (PubChem CID 63778034) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
PubChem CID63778034
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
SMILESCN1CCN(c2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17-10-11-18(15-9-5-4-8-14(15)17)13-7-3-2-6-12(13)16(19)20/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyUXRPAKKHIAWBON-UHFFFAOYSA-N
XLogP2.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid
CID 63778809
1-[3-chloro-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanone
CID 63778379
5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 114891800
3-chloro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-2-carboxylic acid
CID 63778811
methyl 2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoate
CID 117026428
1-[2-(3-aminopropanoyl)phenyl]-3-methylimidazolidin-2-one
CID 117370660
1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
CID 107083737
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63776757
1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone
CID 83119857
phthalic acid;hydrobromide
CID 71236392
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid (CID 63778034) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid is CN1CCN(c2ccccc2C(=O)O)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid?
The InChIKey is UXRPAKKHIAWBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-10-11-18(15-9-5-4-8-14(15)17)13-7-3-2-6-12(13)16(19)20/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid has a molecular weight of 268.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid is sourced from PubChem (CID 63778034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).