8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one

C25H17FN2O4 — CID 154837714

IUPAC8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CC(=O)Nc4c(F)cccc43)cccc2c1=O
InChIInChI=1S/C25H17FN2O4/c1-14-22(30)16-9-5-10-17(24(16)32-23(14)15-7-3-2-4-8-15)25(31)28-13-20(29)27-21-18(26)11-6-12-19(21)28/h2-12H,13H2,1H3,(H,27,29)
InChIKeyOBDRZKHDTMENDM-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.51
Rot. Bonds2

About 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one

8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 154837714) has the molecular formula C25H17FN2O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID154837714
Molecular FormulaC25H17FN2O4
Molecular Weight428.42 g/mol
Exact Mass428.12
IUPAC Name8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CC(=O)Nc4c(F)cccc43)cccc2c1=O
InChIInChI=1S/C25H17FN2O4/c1-14-22(30)16-9-5-10-17(24(16)32-23(14)15-7-3-2-4-8-15)25(31)28-13-20(29)27-21-18(26)11-6-12-19(21)28/h2-12H,13H2,1H3,(H,27,29)
InChIKeyOBDRZKHDTMENDM-UHFFFAOYSA-N
XLogP4.51
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 154837714) is 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CC(=O)Nc4c(F)cccc43)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is OBDRZKHDTMENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O4/c1-14-22(30)16-9-5-10-17(24(16)32-23(14)15-7-3-2-4-8-15)25(31)28-13-20(29)27-21-18(26)11-6-12-19(21)28/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one?
8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 428.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 154837714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).