5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline

C10H8BrClN2OS — CID 114693397

IUPAC5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
SMILESCOc1cc(Br)c2c(Cl)nc(SC)nc2c1
InChIInChI=1S/C10H8BrClN2OS/c1-15-5-3-6(11)8-7(4-5)13-10(16-2)14-9(8)12/h3-4H,1-2H3
InChIKeyFSAZWABLTJNCFD-UHFFFAOYSA-N
MW319.61 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline

5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline (PubChem CID 114693397) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
PubChem CID114693397
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
SMILESCOc1cc(Br)c2c(Cl)nc(SC)nc2c1
InChIInChI=1S/C10H8BrClN2OS/c1-15-5-3-6(11)8-7(4-5)13-10(16-2)14-9(8)12/h3-4H,1-2H3
InChIKeyFSAZWABLTJNCFD-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-ethyl-7-methoxyquinazoline
CID 114591753
5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
CID 114591758
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
7-bromo-4-chloro-5,8-difluoro-2-methylsulfanylquinazoline
CID 169181849
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
CID 114693063
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
2,6-dibromo-4-methoxypyridine
CID 10901569
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
2,4-dichloro-5-fluoro-7-methoxyquinoline
CID 169256854
4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
CID 118020221
4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168876777
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline?
The IUPAC name of 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline (CID 114693397) is 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline?
The canonical SMILES for 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline is COc1cc(Br)c2c(Cl)nc(SC)nc2c1.
What is the InChIKey of 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline?
The InChIKey is FSAZWABLTJNCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-15-5-3-6(11)8-7(4-5)13-10(16-2)14-9(8)12/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline?
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline has a molecular weight of 319.61 g/mol, XLogP of 3.78, 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-7-methoxy-2-methylsulfanylquinazoline is sourced from PubChem (CID 114693397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).