4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline

C16H15ClN2S — CID 114590391

IUPAC4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C16H15ClN2S/c1-4-11-5-6-20-14(11)16-18-13-10(3)7-9(2)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3
InChIKeyWQKZXRUGINQOFH-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.19
Rot. Bonds2

About 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline

4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline (PubChem CID 114590391) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
PubChem CID114590391
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C16H15ClN2S/c1-4-11-5-6-20-14(11)16-18-13-10(3)7-9(2)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3
InChIKeyWQKZXRUGINQOFH-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
CID 114591378
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
4-ethyl-2,6,8-trimethylquinoline
CID 142037138
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline (CID 114590391) is 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline is CCc1ccsc1-c1nc(Cl)c2cc(C)cc(C)c2n1.
What is the InChIKey of 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline?
The InChIKey is WQKZXRUGINQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-4-11-5-6-20-14(11)16-18-13-10(3)7-9(2)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline?
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline has a molecular weight of 302.83 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline is sourced from PubChem (CID 114590391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).