2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide

C24H19FN4O3S — CID 3243352

IUPAC2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1
InChIInChI=1S/C24H19FN4O3S/c25-16-9-7-15(8-10-16)14-33-24-28-19-6-2-1-5-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-4-3-11-32-17/h1-11,20H,12-14H2,(H,26,30)
InChIKeyJQTMDOCMOBBORJ-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.02
Rot. Bonds6

About 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3243352) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3243352
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1
InChIInChI=1S/C24H19FN4O3S/c25-16-9-7-15(8-10-16)14-33-24-28-19-6-2-1-5-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-4-3-11-32-17/h1-11,20H,12-14H2,(H,26,30)
InChIKeyJQTMDOCMOBBORJ-UHFFFAOYSA-N
XLogP4.02
TPSA87.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 3243352) is 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JQTMDOCMOBBORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c25-16-9-7-15(8-10-16)14-33-24-28-19-6-2-1-5-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-4-3-11-32-17/h1-11,20H,12-14H2,(H,26,30).
What are the key properties of 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3243352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).