4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline

C15H10BrClN2O — CID 63504641

IUPAC4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
SMILESCc1ccc(Oc2nc(Cl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H10BrClN2O/c1-9-6-7-13(11(16)8-9)20-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3
InChIKeySDUHCTJDHOQKIY-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.15
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline

4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline (PubChem CID 63504641) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
PubChem CID63504641
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
SMILESCc1ccc(Oc2nc(Cl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H10BrClN2O/c1-9-6-7-13(11(16)8-9)20-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3
InChIKeySDUHCTJDHOQKIY-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 80846328
4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
CID 107657835
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
CID 63505956
2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
CID 3276050
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline (CID 63504641) is 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline is Cc1ccc(Oc2nc(Cl)nc3ccccc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline?
The InChIKey is SDUHCTJDHOQKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-6-7-13(11(16)8-9)20-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline?
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline has a molecular weight of 349.62 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline is sourced from PubChem (CID 63504641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).