3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine

C12H14BrN3O — CID 84815598

IUPAC3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
SMILESCOc1nc(CCCN)nc2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3O/c1-17-12-9-7-8(13)4-5-10(9)15-11(16-12)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyIEJJVAQUOQFBCK-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.29
Rot. Bonds4

About 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine

3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine (PubChem CID 84815598) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
PubChem CID84815598
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
SMILESCOc1nc(CCCN)nc2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3O/c1-17-12-9-7-8(13)4-5-10(9)15-11(16-12)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyIEJJVAQUOQFBCK-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine?
The IUPAC name of 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine (CID 84815598) is 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine is COc1nc(CCCN)nc2ccc(Br)cc12.
What is the InChIKey of 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine?
The InChIKey is IEJJVAQUOQFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-12-9-7-8(13)4-5-10(9)15-11(16-12)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine?
3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine has a molecular weight of 296.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 84815598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).