N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide

C23H19FN4O2S — CID 127051441

IUPACN-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)Nc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29)
InChIKeyUEHUAZSKQBFLTL-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.90
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 127051441) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID127051441
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)Nc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29)
InChIKeyUEHUAZSKQBFLTL-UHFFFAOYSA-N
XLogP3.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide (CID 127051441) is N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is UEHUAZSKQBFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 434.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 127051441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).