7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C24H23F2N5OS — CID 59325644

IUPAC7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFCCN1CCC(Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C24H23F2N5OS/c25-6-10-31-8-4-19(5-9-31)32-22-14-21-16(12-20(22)23-27-7-11-33-23)15-28-24(30-21)29-18-3-1-2-17(26)13-18/h1-3,7,11-15,19H,4-6,8-10H2,(H,28,29,30)
InChIKeyGMROFBWQKZKPMR-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.45
Rot. Bonds7

About 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325644) has the molecular formula C24H23F2N5OS and a molecular weight of 467.55 g/mol. Its IUPAC name is 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325644
Molecular FormulaC24H23F2N5OS
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFCCN1CCC(Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C24H23F2N5OS/c25-6-10-31-8-4-19(5-9-31)32-22-14-21-16(12-20(22)23-27-7-11-33-23)15-28-24(30-21)29-18-3-1-2-17(26)13-18/h1-3,7,11-15,19H,4-6,8-10H2,(H,28,29,30)
InChIKeyGMROFBWQKZKPMR-UHFFFAOYSA-N
XLogP5.45
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325644) is 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is FCCN1CCC(Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CC1.
What is the InChIKey of 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is GMROFBWQKZKPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5OS/c25-6-10-31-8-4-19(5-9-31)32-22-14-21-16(12-20(22)23-27-7-11-33-23)15-28-24(30-21)29-18-3-1-2-17(26)13-18/h1-3,7,11-15,19H,4-6,8-10H2,(H,28,29,30).
What are the key properties of 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 467.55 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).