2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol

C17H18N4O3S — CID 11617405

IUPAC2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol
SMILESCS(=O)(=O)c1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)15-5-3-2-4-12(15)11-6-7-13-14(10-11)20-17(18)21-16(13)19-8-9-22/h2-7,10,22H,8-9H2,1H3,(H3,18,19,20,21)
InChIKeyPFYXULPBOAYZMW-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol

2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol (PubChem CID 11617405) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol
PubChem CID11617405
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol
SMILESCS(=O)(=O)c1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)15-5-3-2-4-12(15)11-6-7-13-14(10-11)20-17(18)21-16(13)19-8-9-22/h2-7,10,22H,8-9H2,1H3,(H3,18,19,20,21)
InChIKeyPFYXULPBOAYZMW-UHFFFAOYSA-N
XLogP1.69
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol (CID 11617405) is 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol is CS(=O)(=O)c1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1.
What is the InChIKey of 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol?
The InChIKey is PFYXULPBOAYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-25(23,24)15-5-3-2-4-12(15)11-6-7-13-14(10-11)20-17(18)21-16(13)19-8-9-22/h2-7,10,22H,8-9H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol?
2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol has a molecular weight of 358.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-7-(2-methylsulfonylphenyl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 11617405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).