5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one

C18H14FN3OS — CID 4683139

IUPAC5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C18H14FN3OS/c1-11-17(23)22-16(20-11)14-4-2-3-5-15(14)21-18(22)24-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3
InChIKeyXAFJFWUOPRZPRB-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.74
Rot. Bonds2

About 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one

5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 4683139) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID4683139
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C18H14FN3OS/c1-11-17(23)22-16(20-11)14-4-2-3-5-15(14)21-18(22)24-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3
InChIKeyXAFJFWUOPRZPRB-UHFFFAOYSA-N
XLogP3.74
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 4683139) is 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is XAFJFWUOPRZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-11-17(23)22-16(20-11)14-4-2-3-5-15(14)21-18(22)24-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 339.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4683139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).