6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine

C12H7Cl2N3S — CID 64983299

IUPAC6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(Cl)s2)nc2ccc(Cl)cc12
InChIInChI=1S/C12H7Cl2N3S/c13-6-1-2-8-7(5-6)11(15)17-12(16-8)9-3-4-10(14)18-9/h1-5H,(H2,15,16,17)
InChIKeyZDZCQJNJROGBAU-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.25
Rot. Bonds1

About 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine

6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine (PubChem CID 64983299) has the molecular formula C12H7Cl2N3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine
PubChem CID64983299
Molecular FormulaC12H7Cl2N3S
Molecular Weight296.18 g/mol
Exact Mass294.97
IUPAC Name6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(Cl)s2)nc2ccc(Cl)cc12
InChIInChI=1S/C12H7Cl2N3S/c13-6-1-2-8-7(5-6)11(15)17-12(16-8)9-3-4-10(14)18-9/h1-5H,(H2,15,16,17)
InChIKeyZDZCQJNJROGBAU-UHFFFAOYSA-N
XLogP4.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine (CID 64983299) is 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine is Nc1nc(-c2ccc(Cl)s2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine?
The InChIKey is ZDZCQJNJROGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3S/c13-6-1-2-8-7(5-6)11(15)17-12(16-8)9-3-4-10(14)18-9/h1-5H,(H2,15,16,17).
What are the key properties of 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine?
6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine has a molecular weight of 296.18 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 64983299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).