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

C16H14BrN3O — CID 80846328

IUPAC4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)cc2Br)c2ccccc2n1
InChIInChI=1S/C16H14BrN3O/c1-10-7-8-14(12(17)9-10)21-15-11-5-3-4-6-13(11)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLXZLABSRDUTGOW-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.53
Rot. Bonds3

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

4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine (PubChem CID 80846328) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
PubChem CID80846328
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)cc2Br)c2ccccc2n1
InChIInChI=1S/C16H14BrN3O/c1-10-7-8-14(12(17)9-10)21-15-11-5-3-4-6-13(11)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLXZLABSRDUTGOW-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
CID 63504641
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]quinazolin-2-amine
CID 80877986
2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
CID 3276050
[4-(2-fluoro-5-methylphenoxy)quinazolin-2-yl]hydrazine
CID 80925069
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 107171754
4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
CID 80874437
N-methyl-4-pyridin-3-yloxyquinazolin-2-amine
CID 80881479
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
CID 80877516
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine (CID 80846328) is 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine is CNc1nc(Oc2ccc(C)cc2Br)c2ccccc2n1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine?
The InChIKey is LXZLABSRDUTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-7-8-14(12(17)9-10)21-15-11-5-3-4-6-13(11)19-16(18-2)20-15/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine?
4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine has a molecular weight of 344.21 g/mol, XLogP of 4.53, 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-methylphenoxy)-N-methylquinazolin-2-amine is sourced from PubChem (CID 80846328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).