6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine

C14H10Cl3N3S — CID 80648476

IUPAC6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2sccc2Cl)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)6-10(17)11(8)19-14(20-13)12-9(16)3-4-21-12/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyAPXZCRGXVWKJKS-UHFFFAOYSA-N
MW358.68 g/mol
LogP5.75
Rot. Bonds3

About 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine

6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine (PubChem CID 80648476) has the molecular formula C14H10Cl3N3S and a molecular weight of 358.68 g/mol. Its IUPAC name is 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
PubChem CID80648476
Molecular FormulaC14H10Cl3N3S
Molecular Weight358.68 g/mol
Exact Mass356.97
IUPAC Name6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2sccc2Cl)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)6-10(17)11(8)19-14(20-13)12-9(16)3-4-21-12/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyAPXZCRGXVWKJKS-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine?
The IUPAC name of 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine (CID 80648476) is 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine is CCNc1nc(-c2sccc2Cl)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine?
The InChIKey is APXZCRGXVWKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)6-10(17)11(8)19-14(20-13)12-9(16)3-4-21-12/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine?
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine has a molecular weight of 358.68 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 80648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).