2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline

C13H7BrCl2N2S — CID 114021117

IUPAC2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
SMILESCc1ccc(Cl)c2c(Cl)nc(-c3csc(Br)c3)nc12
InChIInChI=1S/C13H7BrCl2N2S/c1-6-2-3-8(15)10-11(6)17-13(18-12(10)16)7-4-9(14)19-5-7/h2-5H,1H3
InChIKeyJBGHMMRWQCCSLR-UHFFFAOYSA-N
MW374.09 g/mol
LogP5.74
Rot. Bonds1

About 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline

2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline (PubChem CID 114021117) has the molecular formula C13H7BrCl2N2S and a molecular weight of 374.09 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
PubChem CID114021117
Molecular FormulaC13H7BrCl2N2S
Molecular Weight374.09 g/mol
Exact Mass371.89
IUPAC Name2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
SMILESCc1ccc(Cl)c2c(Cl)nc(-c3csc(Br)c3)nc12
InChIInChI=1S/C13H7BrCl2N2S/c1-6-2-3-8(15)10-11(6)17-13(18-12(10)16)7-4-9(14)19-5-7/h2-5H,1H3
InChIKeyJBGHMMRWQCCSLR-UHFFFAOYSA-N
XLogP5.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.09
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
CID 107960351
4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine
CID 107966603
4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
CID 11565869
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline?
The IUPAC name of 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline (CID 114021117) is 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline?
The canonical SMILES for 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline is Cc1ccc(Cl)c2c(Cl)nc(-c3csc(Br)c3)nc12.
What is the InChIKey of 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline?
The InChIKey is JBGHMMRWQCCSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2S/c1-6-2-3-8(15)10-11(6)17-13(18-12(10)16)7-4-9(14)19-5-7/h2-5H,1H3.
What are the key properties of 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline?
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline has a molecular weight of 374.09 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline is sourced from PubChem (CID 114021117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).