6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine

C13H9Cl2N3S — CID 80642166

IUPAC6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2sccc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C13H9Cl2N3S/c1-16-12-8-6-7(14)2-3-10(8)17-13(18-12)11-9(15)4-5-19-11/h2-6H,1H3,(H,16,17,18)
InChIKeyPIDCTQGDVGUVCM-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.71
Rot. Bonds2

About 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine

6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine (PubChem CID 80642166) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
PubChem CID80642166
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2sccc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C13H9Cl2N3S/c1-16-12-8-6-7(14)2-3-10(8)17-13(18-12)11-9(15)4-5-19-11/h2-6H,1H3,(H,16,17,18)
InChIKeyPIDCTQGDVGUVCM-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine (CID 80642166) is 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine is CNc1nc(-c2sccc2Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine?
The InChIKey is PIDCTQGDVGUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-16-12-8-6-7(14)2-3-10(8)17-13(18-12)11-9(15)4-5-19-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine?
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine has a molecular weight of 310.21 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 80642166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).