4-(2-thiophen-2-ylquinazolin-4-yl)morpholine

C16H15N3OS — CID 2570600

IUPAC4-(2-thiophen-2-ylquinazolin-4-yl)morpholine
SMILESc1csc(-c2nc(N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C16H15N3OS/c1-2-5-13-12(4-1)16(19-7-9-20-10-8-19)18-15(17-13)14-6-3-11-21-14/h1-6,11H,7-10H2
InChIKeyBUBMXSIMCZZISB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.19
Rot. Bonds2

About 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine

4-(2-thiophen-2-ylquinazolin-4-yl)morpholine (PubChem CID 2570600) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-thiophen-2-ylquinazolin-4-yl)morpholine
PubChem CID2570600
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(2-thiophen-2-ylquinazolin-4-yl)morpholine
SMILESc1csc(-c2nc(N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C16H15N3OS/c1-2-5-13-12(4-1)16(19-7-9-20-10-8-19)18-15(17-13)14-6-3-11-21-14/h1-6,11H,7-10H2
InChIKeyBUBMXSIMCZZISB-UHFFFAOYSA-N
XLogP3.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine?
The IUPAC name of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine (CID 2570600) is 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine is c1csc(-c2nc(N3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine?
The InChIKey is BUBMXSIMCZZISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-5-13-12(4-1)16(19-7-9-20-10-8-19)18-15(17-13)14-6-3-11-21-14/h1-6,11H,7-10H2.
What are the key properties of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine?
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine has a molecular weight of 297.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine is sourced from PubChem (CID 2570600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).