4-bromo-3-quinazolin-2-yloxyaniline

C14H10BrN3O — CID 103011850

IUPAC4-bromo-3-quinazolin-2-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ncc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3O/c15-11-6-5-10(16)7-13(11)19-14-17-8-9-3-1-2-4-12(9)18-14/h1-8H,16H2
InChIKeyMCJWJVJCEKDBHY-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.77
Rot. Bonds2

About 4-bromo-3-quinazolin-2-yloxyaniline

4-bromo-3-quinazolin-2-yloxyaniline (PubChem CID 103011850) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-bromo-3-quinazolin-2-yloxyaniline.

Molecular Properties

Compound Name4-bromo-3-quinazolin-2-yloxyaniline
PubChem CID103011850
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name4-bromo-3-quinazolin-2-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ncc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3O/c15-11-6-5-10(16)7-13(11)19-14-17-8-9-3-1-2-4-12(9)18-14/h1-8H,16H2
InChIKeyMCJWJVJCEKDBHY-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
4-bromo-3-quinolin-2-yloxyaniline
CID 103011624
2-(5-bromo-2-chlorophenoxy)quinazoline
CID 114788780
5-methoxy-2-quinazolin-2-yloxyaniline
CID 114789345
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
2-methoxyquinazoline
CID 594801
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
4-bromo-3-pyridin-4-yloxyaniline
CID 103011740
2-(2-bromophenoxy)quinolin-6-amine
CID 43451089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-quinazolin-2-yloxyaniline?
The IUPAC name of 4-bromo-3-quinazolin-2-yloxyaniline (CID 103011850) is 4-bromo-3-quinazolin-2-yloxyaniline.
What is the SMILES notation for 4-bromo-3-quinazolin-2-yloxyaniline?
The canonical SMILES for 4-bromo-3-quinazolin-2-yloxyaniline is Nc1ccc(Br)c(Oc2ncc3ccccc3n2)c1.
What is the InChIKey of 4-bromo-3-quinazolin-2-yloxyaniline?
The InChIKey is MCJWJVJCEKDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-6-5-10(16)7-13(11)19-14-17-8-9-3-1-2-4-12(9)18-14/h1-8H,16H2.
What are the key properties of 4-bromo-3-quinazolin-2-yloxyaniline?
4-bromo-3-quinazolin-2-yloxyaniline has a molecular weight of 316.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-quinazolin-2-yloxyaniline is sourced from PubChem (CID 103011850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).