4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine

C28H24N4O2S — CID 11812844

IUPAC4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)sc2-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H24N4O2S/c1-33-21-13-11-19(12-14-21)24-26(35-28(31-24)32-15-17-34-18-16-32)25-22-9-5-6-10-23(22)29-27(30-25)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
InChIKeyZPXNVSRMQKKTGI-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.93
Rot. Bonds5

About 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 11812844) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID11812844
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC Name4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)sc2-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H24N4O2S/c1-33-21-13-11-19(12-14-21)24-26(35-28(31-24)32-15-17-34-18-16-32)25-22-9-5-6-10-23(22)29-27(30-25)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
InChIKeyZPXNVSRMQKKTGI-UHFFFAOYSA-N
XLogP5.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine (CID 11812844) is 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine is COc1ccc(-c2nc(N3CCOCC3)sc2-c2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is ZPXNVSRMQKKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-33-21-13-11-19(12-14-21)24-26(35-28(31-24)32-15-17-34-18-16-32)25-22-9-5-6-10-23(22)29-27(30-25)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 480.59 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 11812844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).