4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine

C17H17N3O2S — CID 23632061

IUPAC4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine
SMILESCOc1ccc2nc(-c3cccs3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C17H17N3O2S/c1-21-12-4-5-14-13(11-12)17(20-6-8-22-9-7-20)19-16(18-14)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyIUUXCSOAXRAXRW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds3

About 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine

4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine (PubChem CID 23632061) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine
PubChem CID23632061
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine
SMILESCOc1ccc2nc(-c3cccs3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C17H17N3O2S/c1-21-12-4-5-14-13(11-12)17(20-6-8-22-9-7-20)19-16(18-14)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3
InChIKeyIUUXCSOAXRAXRW-UHFFFAOYSA-N
XLogP3.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine?
The IUPAC name of 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine (CID 23632061) is 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine is COc1ccc2nc(-c3cccs3)nc(N3CCOCC3)c2c1.
What is the InChIKey of 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine?
The InChIKey is IUUXCSOAXRAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-12-4-5-14-13(11-12)17(20-6-8-22-9-7-20)19-16(18-14)15-3-2-10-23-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine?
4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine has a molecular weight of 327.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)morpholine is sourced from PubChem (CID 23632061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).