3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid

C20H19N3O3 — CID 50991206

IUPAC3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCC1COCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-13-12-26-10-9-23(13)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(24)25)11-17(16)22-19/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)
InChIKeyPRHUXQAFHYAZOS-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.22
Rot. Bonds3

About 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid

3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991206) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991206
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCC1COCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-13-12-26-10-9-23(13)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(24)25)11-17(16)22-19/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)
InChIKeyPRHUXQAFHYAZOS-UHFFFAOYSA-N
XLogP3.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Morpholin-4-yl)quinoline-4-carboxylic acid
CID 230788
4-(quinoxalin-2-ylamino)benzoic Acid
CID 3547215
Ethyl 4-[[3-(4-ethoxycarbonylanilino)quinoxalin-2-yl]amino]benzoate
CID 468694
4-[3-(Hydroxymethyl)phenyl]-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46850921
4-[4-(Hydroxymethyl)phenyl]-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869242
8-(Dimethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869243
8-[2-Hydroxyethyl(methyl)amino]-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869244
8-(Dimethylamino)-4-[4-fluoro-3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869513
4-[4-Fluoro-3-(hydroxymethyl)phenyl]-8-[2-hydroxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869514
2-(4-Fluorophenyl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid
CID 50922674
3-(3,4-dihydroquinolin-1(2H)-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991018
3-(Isopropyl(methyl)amino)-2-phenylquinoxaline-6-carboxylic acid
CID 50991019

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 50991206) is 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid is CC1COCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is PRHUXQAFHYAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-12-26-10-9-23(13)19-18(14-5-3-2-4-6-14)21-16-8-7-15(20(24)25)11-17(16)22-19/h2-8,11,13H,9-10,12H2,1H3,(H,24,25).
What are the key properties of 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).