2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide

C25H23FN4O2 — CID 90094760

IUPAC2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide
SMILESCc1cc(-c2ncc(COCC(=O)N(C)C)cc2-c2ccc3nccnc3c2)ccc1F
InChIInChI=1S/C25H23FN4O2/c1-16-10-19(4-6-21(16)26)25-20(18-5-7-22-23(12-18)28-9-8-27-22)11-17(13-29-25)14-32-15-24(31)30(2)3/h4-13H,14-15H2,1-3H3
InChIKeyYDZADUVHUVQWJF-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.41
Rot. Bonds6

About 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide

2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide (PubChem CID 90094760) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide
PubChem CID90094760
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide
SMILESCc1cc(-c2ncc(COCC(=O)N(C)C)cc2-c2ccc3nccnc3c2)ccc1F
InChIInChI=1S/C25H23FN4O2/c1-16-10-19(4-6-21(16)26)25-20(18-5-7-22-23(12-18)28-9-8-27-22)11-17(13-29-25)14-32-15-24(31)30(2)3/h4-13H,14-15H2,1-3H3
InChIKeyYDZADUVHUVQWJF-UHFFFAOYSA-N
XLogP4.41
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine
CID 123136244
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 123886434
2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide
CID 23538327
6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-ylpyridine-3-carboxamide;bis(1-[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]ethanone);[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]-morpholin-4-ylmethanone
CID 161483485
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzenesulfonamide
CID 90094845
3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
CID 175294448
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
tris[[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]methyl] phosphate
CID 90094866

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide (CID 90094760) is 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide is Cc1cc(-c2ncc(COCC(=O)N(C)C)cc2-c2ccc3nccnc3c2)ccc1F.
What is the InChIKey of 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide?
The InChIKey is YDZADUVHUVQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-10-19(4-6-21(16)26)25-20(18-5-7-22-23(12-18)28-9-8-27-22)11-17(13-29-25)14-32-15-24(31)30(2)3/h4-13H,14-15H2,1-3H3.
What are the key properties of 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide?
2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide has a molecular weight of 430.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 90094760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).