4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine

C21H24N4OS — CID 53467770

IUPAC4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine
SMILESc1csc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C21H24N4OS/c1-3-16(20-4-2-12-27-20)14-25(7-1)21-18-6-5-17(13-19(18)22-15-23-21)24-8-10-26-11-9-24/h2,4-6,12-13,15-16H,1,3,7-11,14H2
InChIKeyWNBANCJZAWJQAH-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.91
Rot. Bonds3

About 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine

4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine (PubChem CID 53467770) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine
PubChem CID53467770
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine
SMILESc1csc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C21H24N4OS/c1-3-16(20-4-2-12-27-20)14-25(7-1)21-18-6-5-17(13-19(18)22-15-23-21)24-8-10-26-11-9-24/h2,4-6,12-13,15-16H,1,3,7-11,14H2
InChIKeyWNBANCJZAWJQAH-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine (CID 53467770) is 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine is c1csc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine?
The InChIKey is WNBANCJZAWJQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-3-16(20-4-2-12-27-20)14-25(7-1)21-18-6-5-17(13-19(18)22-15-23-21)24-8-10-26-11-9-24/h2,4-6,12-13,15-16H,1,3,7-11,14H2.
What are the key properties of 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine?
4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine has a molecular weight of 380.52 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-thiophen-2-ylpiperidin-1-yl)quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).