6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide

C22H26F2N4O — CID 170612365

IUPAC6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CC(CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C22H26F2N4O/c1-15(2)26-13-16(14-26)12-25-22(29)28-10-9-27(19-6-3-17(23)4-7-19)21-11-18(24)5-8-20(21)28/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,25,29)
InChIKeyGXFPEDRYEIMKOO-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.97
Rot. Bonds4

About 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide

6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170612365) has the molecular formula C22H26F2N4O and a molecular weight of 400.47 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170612365
Molecular FormulaC22H26F2N4O
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC Name6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CC(CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C22H26F2N4O/c1-15(2)26-13-16(14-26)12-25-22(29)28-10-9-27(19-6-3-17(23)4-7-19)21-11-18(24)5-8-20(21)28/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,25,29)
InChIKeyGXFPEDRYEIMKOO-UHFFFAOYSA-N
XLogP3.97
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide with MolForge

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Related Compounds

6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612360
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
CID 170439532
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 170439513
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
CID 178151169
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide (CID 170612365) is 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide is CC(C)N1CC(CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is GXFPEDRYEIMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O/c1-15(2)26-13-16(14-26)12-25-22(29)28-10-9-27(19-6-3-17(23)4-7-19)21-11-18(24)5-8-20(21)28/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,25,29).
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide?
6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170612365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).