2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C23H24FN3O2S — CID 3226697

IUPAC2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(SCC(=O)NCC3CCCO3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H24FN3O2S/c1-2-15-5-3-7-19-21(15)26-22(16-8-10-17(24)11-9-16)27-23(19)30-14-20(28)25-13-18-6-4-12-29-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,25,28)
InChIKeyLRVWEPRKSWEEGA-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.39
Rot. Bonds7

About 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3226697) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3226697
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(SCC(=O)NCC3CCCO3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H24FN3O2S/c1-2-15-5-3-7-19-21(15)26-22(16-8-10-17(24)11-9-16)27-23(19)30-14-20(28)25-13-18-6-4-12-29-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,25,28)
InChIKeyLRVWEPRKSWEEGA-UHFFFAOYSA-N
XLogP4.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3226697) is 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is CCc1cccc2c(SCC(=O)NCC3CCCO3)nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LRVWEPRKSWEEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-2-15-5-3-7-19-21(15)26-22(16-8-10-17(24)11-9-16)27-23(19)30-14-20(28)25-13-18-6-4-12-29-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,25,28).
What are the key properties of 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3226697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).