7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C27H24N6OS — CID 59325478

IUPAC7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESc1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1
InChIInChI=1S/C27H24N6OS/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33)
InChIKeyPMCZTPZASPAYKO-UHFFFAOYSA-N
MW480.60 g/mol
LogP5.69
Rot. Bonds6

About 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325478) has the molecular formula C27H24N6OS and a molecular weight of 480.60 g/mol. Its IUPAC name is 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325478
Molecular FormulaC27H24N6OS
Molecular Weight480.60 g/mol
Exact Mass480.17
IUPAC Name7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESc1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1
InChIInChI=1S/C27H24N6OS/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33)
InChIKeyPMCZTPZASPAYKO-UHFFFAOYSA-N
XLogP5.69
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325478) is 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is c1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1.
What is the InChIKey of 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is PMCZTPZASPAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6OS/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33).
What are the key properties of 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 480.60 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).