N-(3-bromophenyl)-8-methoxyquinazolin-4-amine

C15H12BrN3O — CID 5328049

IUPACN-(3-bromophenyl)-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(Nc3cccc(Br)c3)ncnc12
InChIInChI=1S/C15H12BrN3O/c1-20-13-7-3-6-12-14(13)17-9-18-15(12)19-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,19)
InChIKeyWCJIZSYSAHKAQF-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.14
Rot. Bonds3

About N-(3-bromophenyl)-8-methoxyquinazolin-4-amine

N-(3-bromophenyl)-8-methoxyquinazolin-4-amine (PubChem CID 5328049) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-methoxyquinazolin-4-amine
PubChem CID5328049
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(3-bromophenyl)-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(Nc3cccc(Br)c3)ncnc12
InChIInChI=1S/C15H12BrN3O/c1-20-13-7-3-6-12-14(13)17-9-18-15(12)19-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,19)
InChIKeyWCJIZSYSAHKAQF-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-methoxyquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8-methoxyquinazolin-4-amine (CID 5328049) is N-(3-bromophenyl)-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8-methoxyquinazolin-4-amine is COc1cccc2c(Nc3cccc(Br)c3)ncnc12.
What is the InChIKey of N-(3-bromophenyl)-8-methoxyquinazolin-4-amine?
The InChIKey is WCJIZSYSAHKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-20-13-7-3-6-12-14(13)17-9-18-15(12)19-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-8-methoxyquinazolin-4-amine?
N-(3-bromophenyl)-8-methoxyquinazolin-4-amine has a molecular weight of 330.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 5328049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).