6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C19H15ClFN3O — CID 10066809

IUPAC6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C19H15ClFN3O/c1-11(2)24-17-14(20)4-3-5-15(17)23-10-22-16(18(23)19(24)25)12-6-8-13(21)9-7-12/h3-11H,1-2H3
InChIKeyWAUIYPZGHZJRCZ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.69
Rot. Bonds2

About 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10066809) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10066809
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C19H15ClFN3O/c1-11(2)24-17-14(20)4-3-5-15(17)23-10-22-16(18(23)19(24)25)12-6-8-13(21)9-7-12/h3-11H,1-2H3
InChIKeyWAUIYPZGHZJRCZ-UHFFFAOYSA-N
XLogP4.69
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10066809) is 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2cccc(Cl)c21.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is WAUIYPZGHZJRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-11(2)24-17-14(20)4-3-5-15(17)23-10-22-16(18(23)19(24)25)12-6-8-13(21)9-7-12/h3-11H,1-2H3.
What are the key properties of 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 355.80 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10066809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).