3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide

C28H18F2N4O2 — CID 90134664

IUPAC3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESCc1ccc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1
InChIInChI=1S/C28H18F2N4O2/c1-16-5-6-19(14-31-16)26-15-32-24-10-7-17(12-25(24)34-26)27(35)22-9-8-21(13-23(22)30)33-28(36)18-3-2-4-20(29)11-18/h2-15H,1H3,(H,33,36)
InChIKeyZMBMXHZKUGOAEE-UHFFFAOYSA-N
MW480.47 g/mol
LogP5.76
Rot. Bonds5

About 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide

3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide (PubChem CID 90134664) has the molecular formula C28H18F2N4O2 and a molecular weight of 480.47 g/mol. Its IUPAC name is 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
PubChem CID90134664
Molecular FormulaC28H18F2N4O2
Molecular Weight480.47 g/mol
Exact Mass480.14
IUPAC Name3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESCc1ccc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1
InChIInChI=1S/C28H18F2N4O2/c1-16-5-6-19(14-31-16)26-15-32-24-10-7-17(12-25(24)34-26)27(35)22-9-8-21(13-23(22)30)33-28(36)18-3-2-4-20(29)11-18/h2-15H,1H3,(H,33,36)
InChIKeyZMBMXHZKUGOAEE-UHFFFAOYSA-N
XLogP5.76
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71534785
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]-3-fluorobenzamide
CID 90081311
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
3-fluoro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzamide
CID 110732565
(3-pyridin-3-ylquinoxalin-6-yl)-[2,3,6-trifluoro-5-[(3-fluorophenyl)methoxy]phenyl]methanone
CID 89477903
ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
CID 68694892

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide (CID 90134664) is 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide is Cc1ccc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1.
What is the InChIKey of 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide?
The InChIKey is ZMBMXHZKUGOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N4O2/c1-16-5-6-19(14-31-16)26-15-32-24-10-7-17(12-25(24)34-26)27(35)22-9-8-21(13-23(22)30)33-28(36)18-3-2-4-20(29)11-18/h2-15H,1H3,(H,33,36).
What are the key properties of 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide?
3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide has a molecular weight of 480.47 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide is sourced from PubChem (CID 90134664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).