5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline

C14H9BrCl2N2OS — CID 103400565

IUPAC5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
SMILESCOc1ccc(Br)c2c(Cl)nc(-c3scc(C)c3Cl)nc12
InChIInChI=1S/C14H9BrCl2N2OS/c1-6-5-21-12(10(6)16)14-18-11-8(20-2)4-3-7(15)9(11)13(17)19-14/h3-5H,1-2H3
InChIKeyGAUSTHAFCHBWFL-UHFFFAOYSA-N
MW404.12 g/mol
LogP5.74
Rot. Bonds2

About 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline

5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline (PubChem CID 103400565) has the molecular formula C14H9BrCl2N2OS and a molecular weight of 404.12 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
PubChem CID103400565
Molecular FormulaC14H9BrCl2N2OS
Molecular Weight404.12 g/mol
Exact Mass401.90
IUPAC Name5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
SMILESCOc1ccc(Br)c2c(Cl)nc(-c3scc(C)c3Cl)nc12
InChIInChI=1S/C14H9BrCl2N2OS/c1-6-5-21-12(10(6)16)14-18-11-8(20-2)4-3-7(15)9(11)13(17)19-14/h3-5H,1-2H3
InChIKeyGAUSTHAFCHBWFL-UHFFFAOYSA-N
XLogP5.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.12
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
5-bromo-4-chloro-2-ethyl-8-methoxyquinazoline
CID 114591397
4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline
CID 114589935
8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 54967603
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
3,5-dibromo-4-chloro-8-methoxyquinoline
CID 114759895
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
5-bromo-8-methoxy-2-methylquinolin-4-amine
CID 62196790
4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591327

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline?
The IUPAC name of 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline (CID 103400565) is 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline?
The canonical SMILES for 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline is COc1ccc(Br)c2c(Cl)nc(-c3scc(C)c3Cl)nc12.
What is the InChIKey of 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline?
The InChIKey is GAUSTHAFCHBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2OS/c1-6-5-21-12(10(6)16)14-18-11-8(20-2)4-3-7(15)9(11)13(17)19-14/h3-5H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline?
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline has a molecular weight of 404.12 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline is sourced from PubChem (CID 103400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).