6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine

C14H10Cl3N3S — CID 107966565

IUPAC6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2cc(Cl)sc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)3-4-10(8)19-14(20-13)9-6-11(16)21-12(9)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyHYGLKWXMDVPFSL-UHFFFAOYSA-N
MW358.68 g/mol
LogP5.75
Rot. Bonds3

About 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine

6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine (PubChem CID 107966565) has the molecular formula C14H10Cl3N3S and a molecular weight of 358.68 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
PubChem CID107966565
Molecular FormulaC14H10Cl3N3S
Molecular Weight358.68 g/mol
Exact Mass356.97
IUPAC Name6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2cc(Cl)sc2Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)3-4-10(8)19-14(20-13)9-6-11(16)21-12(9)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyHYGLKWXMDVPFSL-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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Related Compounds

6-chloro-N-ethyl-2-(4-methoxythiophen-2-yl)quinazolin-4-amine
CID 81128551
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
CID 64981585
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
2-(4-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981367
N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
CID 59213559
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine
CID 79808207
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166
2-[4-chloro-2-(ethylsulfanylmethyl)phenyl]-N-ethyl-7-(trifluoromethyl)quinazolin-4-amine
CID 162567751
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine (CID 107966565) is 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine is CCNc1nc(-c2cc(Cl)sc2Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine?
The InChIKey is HYGLKWXMDVPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3S/c1-2-18-13-8-5-7(15)3-4-10(8)19-14(20-13)9-6-11(16)21-12(9)17/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine?
6-chloro-2-(2,5-dichlorothiophen-3-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-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 107966565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).