2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine

C13H10ClN3OS — CID 80641658

IUPAC2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(-c3sccc3Cl)nc(N)c2c1
InChIInChI=1S/C13H10ClN3OS/c1-18-7-2-3-10-8(6-7)12(15)17-13(16-10)11-9(14)4-5-19-11/h2-6H,1H3,(H2,15,16,17)
InChIKeyXFRVUEXKQJTBQQ-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine

2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine (PubChem CID 80641658) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
PubChem CID80641658
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(-c3sccc3Cl)nc(N)c2c1
InChIInChI=1S/C13H10ClN3OS/c1-18-7-2-3-10-8(6-7)12(15)17-13(16-10)11-9(14)4-5-19-11/h2-6H,1H3,(H2,15,16,17)
InChIKeyXFRVUEXKQJTBQQ-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine (CID 80641658) is 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine is COc1ccc2nc(-c3sccc3Cl)nc(N)c2c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine?
The InChIKey is XFRVUEXKQJTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-18-7-2-3-10-8(6-7)12(15)17-13(16-10)11-9(14)4-5-19-11/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 80641658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).