N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H20FN3O2S — CID 2482839

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H20FN3O2S/c26-20-9-2-4-11-22(20)29-24(31)19-8-1-3-10-21(19)28-25(29)32-15-23(30)27-18-13-12-16-6-5-7-17(16)14-18/h1-4,8-14H,5-7,15H2,(H,27,30)
InChIKeyRHPQXKACBFKHMZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.74
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 2482839) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID2482839
Molecular FormulaC25H20FN3O2S
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H20FN3O2S/c26-20-9-2-4-11-22(20)29-24(31)19-8-1-3-10-21(19)28-25(29)32-15-23(30)27-18-13-12-16-6-5-7-17(16)14-18/h1-4,8-14H,5-7,15H2,(H,27,30)
InChIKeyRHPQXKACBFKHMZ-UHFFFAOYSA-N
XLogP4.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 2482839) is N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is RHPQXKACBFKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c26-20-9-2-4-11-22(20)29-24(31)19-8-1-3-10-21(19)28-25(29)32-15-23(30)27-18-13-12-16-6-5-7-17(16)14-18/h1-4,8-14H,5-7,15H2,(H,27,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 445.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2482839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).