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

C17H16N4O2S — CID 49432802

IUPAC4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2nc(-c3cccs3)nc3ccccc23)CCO1
InChIInChI=1S/C17H16N4O2S/c18-15(22)13-10-21(7-8-23-13)17-11-4-1-2-5-12(11)19-16(20-17)14-6-3-9-24-14/h1-6,9,13H,7-8,10H2,(H2,18,22)
InChIKeyWMOLCPRUUJEKMH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.05
Rot. Bonds3

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

4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide (PubChem CID 49432802) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
PubChem CID49432802
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(c2nc(-c3cccs3)nc3ccccc23)CCO1
InChIInChI=1S/C17H16N4O2S/c18-15(22)13-10-21(7-8-23-13)17-11-4-1-2-5-12(11)19-16(20-17)14-6-3-9-24-14/h1-6,9,13H,7-8,10H2,(H2,18,22)
InChIKeyWMOLCPRUUJEKMH-UHFFFAOYSA-N
XLogP2.05
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide?
The IUPAC name of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide (CID 49432802) is 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide is NC(=O)C1CN(c2nc(-c3cccs3)nc3ccccc23)CCO1.
What is the InChIKey of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide?
The InChIKey is WMOLCPRUUJEKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-15(22)13-10-21(7-8-23-13)17-11-4-1-2-5-12(11)19-16(20-17)14-6-3-9-24-14/h1-6,9,13H,7-8,10H2,(H2,18,22).
What are the key properties of 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide?
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 49432802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).