3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one

C22H15FN4OS — CID 112779520

IUPAC3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccccc3n2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN4OS/c23-15-8-10-17(11-9-15)27-21(28)18-5-1-2-6-19(18)25-22(27)29-14-16-13-26-12-4-3-7-20(26)24-16/h1-13H,14H2
InChIKeyKVAIVKJAYYZXMU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.46
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one

3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 112779520) has the molecular formula C22H15FN4OS and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
PubChem CID112779520
Molecular FormulaC22H15FN4OS
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccccc3n2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN4OS/c23-15-8-10-17(11-9-15)27-21(28)18-5-1-2-6-19(18)25-22(27)29-14-16-13-26-12-4-3-7-20(26)24-16/h1-13H,14H2
InChIKeyKVAIVKJAYYZXMU-UHFFFAOYSA-N
XLogP4.46
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7225921
2-[(3,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365622
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7029190
2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 7249950
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2348050
4-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 4011950
2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365616
3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18206190
3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 2097847
1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
CID 51280131

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one (CID 112779520) is 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2cn3ccccc3n2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is KVAIVKJAYYZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4OS/c23-15-8-10-17(11-9-15)27-21(28)18-5-1-2-6-19(18)25-22(27)29-14-16-13-26-12-4-3-7-20(26)24-16/h1-13H,14H2.
What are the key properties of 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one?
3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 402.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 112779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).