N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C22H19F2N5OS — CID 59325429

IUPACN-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1
InChIInChI=1S/C22H19F2N5OS/c23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29)
InChIKeyOWGSTHLMJBQMAR-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.71
Rot. Bonds5

About N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325429) has the molecular formula C22H19F2N5OS and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325429
Molecular FormulaC22H19F2N5OS
Molecular Weight439.49 g/mol
Exact Mass439.13
IUPAC NameN-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1
InChIInChI=1S/C22H19F2N5OS/c23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29)
InChIKeyOWGSTHLMJBQMAR-UHFFFAOYSA-N
XLogP4.71
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325429) is N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is OWGSTHLMJBQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5OS/c23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29).
What are the key properties of N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 439.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).