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

C46H43F3N10O2S2 — CID 158856000

About 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-fluorophenyl)-7-piperidin-4-yloxy-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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 158856000) has the molecular formula C46H43F3N10O2S2 and a molecular weight of 889.05 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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• PubChem CID: 158856000
• Molecular Formula: C46H43F3N10O2S2
• Molecular Weight: 889.05 g/mol
• Exact Mass: 888.30
• IUPAC Name: 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• SMILES: FCCN1CCC(Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CC1.Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)c1
• InChI: InChI=1S/C24H23F2N5OS.C22H20FN5OS/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;23-15-2-1-3-16(11-15)27-22-26-13-14-10-18(21-25-8-9-30-21)20(12-19(14)28-22)29-17-4-6-24-7-5-17/h1-3,7,11-15,19H,4-6,8-10H2,(H,28,29,30);1-3,8-13,17,24H,4-7H2,(H,26,27,28)
• InChIKey: JABCQHQRIKHQRR-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 135.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.05
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 158856000) is 7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-fluorophenyl)-7-piperidin-4-yloxy-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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is FCCN1CCC(Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CC1.Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)c1.

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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The InChIKey is JABCQHQRIKHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5OS.C22H20FN5OS/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;23-15-2-1-3-16(11-15)27-22-26-13-14-10-18(21-25-8-9-30-21)20(12-19(14)28-22)29-17-4-6-24-7-5-17/h1-3,7,11-15,19H,4-6,8-10H2,(H,28,29,30);1-3,8-13,17,24H,4-7H2,(H,26,27,28).

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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 889.05 g/mol, XLogP of 10.22, 12 rotatable bonds, 3 hydrogen bond donors, and 14 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;N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 158856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).