4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine

C15H11BrClN3O — CID 80874178

IUPAC4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2Br)c2ccccc2n1
InChIInChI=1S/C15H11BrClN3O/c1-18-15-19-12-5-3-2-4-10(12)14(20-15)21-13-7-6-9(17)8-11(13)16/h2-8H,1H3,(H,18,19,20)
InChIKeyONGZPKZYCWKCOX-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.88
Rot. Bonds3

About 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine

4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine (PubChem CID 80874178) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
PubChem CID80874178
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2Br)c2ccccc2n1
InChIInChI=1S/C15H11BrClN3O/c1-18-15-19-12-5-3-2-4-10(12)14(20-15)21-13-7-6-9(17)8-11(13)16/h2-8H,1H3,(H,18,19,20)
InChIKeyONGZPKZYCWKCOX-UHFFFAOYSA-N
XLogP4.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 80846328
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
CID 80877516
4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
CID 80874437
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
CID 63504641
3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
CID 102987884
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]quinazolin-2-amine
CID 80877986
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 107171754
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine (CID 80874178) is 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine is CNc1nc(Oc2ccc(Cl)cc2Br)c2ccccc2n1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine?
The InChIKey is ONGZPKZYCWKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-18-15-19-12-5-3-2-4-10(12)14(20-15)21-13-7-6-9(17)8-11(13)16/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine?
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine has a molecular weight of 364.63 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine is sourced from PubChem (CID 80874178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).