6-bromo-8-methoxy-N-phenylquinazolin-2-amine

C15H12BrN3O — CID 58499211

IUPAC6-bromo-8-methoxy-N-phenylquinazolin-2-amine
SMILESCOc1cc(Br)cc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C15H12BrN3O/c1-20-13-8-11(16)7-10-9-17-15(19-14(10)13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19)
InChIKeyKYXFUVDHGNSLKM-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.14
Rot. Bonds3

About 6-bromo-8-methoxy-N-phenylquinazolin-2-amine

6-bromo-8-methoxy-N-phenylquinazolin-2-amine (PubChem CID 58499211) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-bromo-8-methoxy-N-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-methoxy-N-phenylquinazolin-2-amine
PubChem CID58499211
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-bromo-8-methoxy-N-phenylquinazolin-2-amine
SMILESCOc1cc(Br)cc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C15H12BrN3O/c1-20-13-8-11(16)7-10-9-17-15(19-14(10)13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19)
InChIKeyKYXFUVDHGNSLKM-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 6-bromo-8-methoxy-N-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-8-methoxy-N-phenylquinazolin-2-amine (CID 58499211) is 6-bromo-8-methoxy-N-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-8-methoxy-N-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-8-methoxy-N-phenylquinazolin-2-amine is COc1cc(Br)cc2cnc(Nc3ccccc3)nc12.
What is the InChIKey of 6-bromo-8-methoxy-N-phenylquinazolin-2-amine?
The InChIKey is KYXFUVDHGNSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-20-13-8-11(16)7-10-9-17-15(19-14(10)13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19).
What are the key properties of 6-bromo-8-methoxy-N-phenylquinazolin-2-amine?
6-bromo-8-methoxy-N-phenylquinazolin-2-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 6-bromo-8-methoxy-N-phenylquinazolin-2-amine is sourced from PubChem (CID 58499211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).