6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine

C17H15N3OS — CID 19919022

IUPAC6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESC#Cc1ccc2nc(-c3cccs3)nc(NCCOC)c2c1
InChIInChI=1S/C17H15N3OS/c1-3-12-6-7-14-13(11-12)16(18-8-9-21-2)20-17(19-14)15-5-4-10-22-15/h1,4-7,10-11H,8-9H2,2H3,(H,18,19,20)
InChIKeyAWWZINXAZXIJIX-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.40
Rot. Bonds5

About 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine

6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 19919022) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID19919022
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESC#Cc1ccc2nc(-c3cccs3)nc(NCCOC)c2c1
InChIInChI=1S/C17H15N3OS/c1-3-12-6-7-14-13(11-12)16(18-8-9-21-2)20-17(19-14)15-5-4-10-22-15/h1,4-7,10-11H,8-9H2,2H3,(H,18,19,20)
InChIKeyAWWZINXAZXIJIX-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine (CID 19919022) is 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine is C#Cc1ccc2nc(-c3cccs3)nc(NCCOC)c2c1.
What is the InChIKey of 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is AWWZINXAZXIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-3-12-6-7-14-13(11-12)16(18-8-9-21-2)20-17(19-14)15-5-4-10-22-15/h1,4-7,10-11H,8-9H2,2H3,(H,18,19,20).
What are the key properties of 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine?
6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 309.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-N-(2-methoxyethyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 19919022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).