5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline

C15H12BrClN2S — CID 114591231

IUPAC5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2c(Br)ccc(C)c2n1
InChIInChI=1S/C15H12BrClN2S/c1-3-9-6-7-20-13(9)15-18-12-8(2)4-5-10(16)11(12)14(17)19-15/h4-7H,3H2,1-2H3
InChIKeyAAKCWIINCIODJY-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.65
Rot. Bonds2

About 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline

5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline (PubChem CID 114591231) has the molecular formula C15H12BrClN2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
PubChem CID114591231
Molecular FormulaC15H12BrClN2S
Molecular Weight367.70 g/mol
Exact Mass365.96
IUPAC Name5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2c(Br)ccc(C)c2n1
InChIInChI=1S/C15H12BrClN2S/c1-3-9-6-7-20-13(9)15-18-12-8(2)4-5-10(16)11(12)14(17)19-15/h4-7H,3H2,1-2H3
InChIKeyAAKCWIINCIODJY-UHFFFAOYSA-N
XLogP5.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.70
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
CID 114591241
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
CID 114591378
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
CID 114021117
5-bromo-4-chloro-8-methylquinazoline
CID 104782240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline?
The IUPAC name of 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline (CID 114591231) is 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline?
The canonical SMILES for 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline is CCc1ccsc1-c1nc(Cl)c2c(Br)ccc(C)c2n1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline?
The InChIKey is AAKCWIINCIODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2S/c1-3-9-6-7-20-13(9)15-18-12-8(2)4-5-10(16)11(12)14(17)19-15/h4-7H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline?
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline has a molecular weight of 367.70 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline is sourced from PubChem (CID 114591231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).