2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine

C16H10ClN3S — CID 64983298

IUPAC2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine
SMILESNc1nc(-c2cc3ccccc3s2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3S/c17-10-5-6-12-11(8-10)15(18)20-16(19-12)14-7-9-3-1-2-4-13(9)21-14/h1-8H,(H2,18,19,20)
InChIKeyCNKKWLYHAXUTIF-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.75
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine

2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine (PubChem CID 64983298) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine
PubChem CID64983298
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine
SMILESNc1nc(-c2cc3ccccc3s2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3S/c17-10-5-6-12-11(8-10)15(18)20-16(19-12)14-7-9-3-1-2-4-13(9)21-14/h1-8H,(H2,18,19,20)
InChIKeyCNKKWLYHAXUTIF-UHFFFAOYSA-N
XLogP4.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine (CID 64983298) is 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine is Nc1nc(-c2cc3ccccc3s2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine?
The InChIKey is CNKKWLYHAXUTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-10-5-6-12-11(8-10)15(18)20-16(19-12)14-7-9-3-1-2-4-13(9)21-14/h1-8H,(H2,18,19,20).
What are the key properties of 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine?
2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine has a molecular weight of 311.80 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-chloroquinazolin-4-amine is sourced from PubChem (CID 64983298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).