5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine

C20H22FN5O3S — CID 25002763

IUPAC5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C20H22FN5O3S/c21-14-4-1-2-7-17(14)30(27,28)26-10-8-13(9-11-26)12-29-16-6-3-5-15-18(16)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25)
InChIKeyRJDJVSWYXOUREL-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.41
Rot. Bonds5

About 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 25002763) has the molecular formula C20H22FN5O3S and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID25002763
Molecular FormulaC20H22FN5O3S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C20H22FN5O3S/c21-14-4-1-2-7-17(14)30(27,28)26-10-8-13(9-11-26)12-29-16-6-3-5-15-18(16)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25)
InChIKeyRJDJVSWYXOUREL-UHFFFAOYSA-N
XLogP2.41
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 25002763) is 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccccc4F)CC3)cccc2n1.
What is the InChIKey of 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is RJDJVSWYXOUREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S/c21-14-4-1-2-7-17(14)30(27,28)26-10-8-13(9-11-26)12-29-16-6-3-5-15-18(16)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25).
What are the key properties of 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 431.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25002763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).