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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Related Compounds

4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 16736801
N-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)acetamide
CID 46227571
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1442464
N-(4-Morpholin-4-yl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442655
1-{4-[2-(Thiophen-2-yl)quinazolin-4-yl]piperazin-1-yl}ethan-1-one
CID 2469159
4-(4-Ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2514355
N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2516616
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine
CID 2527472
Ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 2575865
[2-(2-Thiophen-2-ylmethyl-quinazolin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 3221484

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).