4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide

C25H23FN4O3S — CID 11465733

IUPAC4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(OCCc3ccccn3)nc3ccc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H23FN4O3S/c26-20-7-4-18(5-8-20)19-6-9-23-22(17-19)24(30-12-15-34(31,32)16-13-30)29-25(28-23)33-14-10-21-3-1-2-11-27-21/h1-9,11,17H,10,12-16H2
InChIKeyAUXPGHDCSWLACQ-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.69
Rot. Bonds6

About 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 11465733) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID11465733
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(OCCc3ccccn3)nc3ccc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H23FN4O3S/c26-20-7-4-18(5-8-20)19-6-9-23-22(17-19)24(30-12-15-34(31,32)16-13-30)29-25(28-23)33-14-10-21-3-1-2-11-27-21/h1-9,11,17H,10,12-16H2
InChIKeyAUXPGHDCSWLACQ-UHFFFAOYSA-N
XLogP3.69
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 11465733) is 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(OCCc3ccccn3)nc3ccc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is AUXPGHDCSWLACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c26-20-7-4-18(5-8-20)19-6-9-23-22(17-19)24(30-12-15-34(31,32)16-13-30)29-25(28-23)33-14-10-21-3-1-2-11-27-21/h1-9,11,17H,10,12-16H2.
What are the key properties of 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 478.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 11465733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).