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

C27H24N6OS — CID 59325639

IUPAC7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESc1cc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)ccn1
InChIInChI=1S/C27H24N6OS/c1-3-21(4-2-18(1)19-5-9-28-10-6-19)32-27-31-17-20-15-23(26-30-13-14-35-26)25(16-24(20)33-27)34-22-7-11-29-12-8-22/h1-6,9-10,13-17,22,29H,7-8,11-12H2,(H,31,32,33)
InChIKeyFORBNSRNIJHTKC-UHFFFAOYSA-N
MW480.60 g/mol
LogP5.69
Rot. Bonds6

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

7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325639) 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-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325639
Molecular FormulaC27H24N6OS
Molecular Weight480.60 g/mol
Exact Mass480.17
IUPAC Name7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESc1cc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)ccn1
InChIInChI=1S/C27H24N6OS/c1-3-21(4-2-18(1)19-5-9-28-10-6-19)32-27-31-17-20-15-23(26-30-13-14-35-26)25(16-24(20)33-27)34-22-7-11-29-12-8-22/h1-6,9-10,13-17,22,29H,7-8,11-12H2,(H,31,32,33)
InChIKeyFORBNSRNIJHTKC-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-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325639) is 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is c1cc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)ccn1.
What is the InChIKey of 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is FORBNSRNIJHTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6OS/c1-3-21(4-2-18(1)19-5-9-28-10-6-19)32-27-31-17-20-15-23(26-30-13-14-35-26)25(16-24(20)33-27)34-22-7-11-29-12-8-22/h1-6,9-10,13-17,22,29H,7-8,11-12H2,(H,31,32,33).
What are the key properties of 7-piperidin-4-yloxy-N-(4-pyridin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
7-piperidin-4-yloxy-N-(4-pyridin-4-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-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).