6-bromo-2-phenylquinazolin-4-amine

C14H10BrN3 — CID 15879877

IUPAC6-bromo-2-phenylquinazolin-4-amine
SMILESNc1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C14H10BrN3/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChIKeyDMQSQZDCGALIHF-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.64
Rot. Bonds1

About 6-bromo-2-phenylquinazolin-4-amine

6-bromo-2-phenylquinazolin-4-amine (PubChem CID 15879877) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-phenylquinazolin-4-amine
PubChem CID15879877
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name6-bromo-2-phenylquinazolin-4-amine
SMILESNc1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C14H10BrN3/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChIKeyDMQSQZDCGALIHF-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-phenylquinazolin-4-amine (CID 15879877) is 6-bromo-2-phenylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-phenylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-phenylquinazolin-4-amine is Nc1nc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-phenylquinazolin-4-amine?
The InChIKey is DMQSQZDCGALIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18).
What are the key properties of 6-bromo-2-phenylquinazolin-4-amine?
6-bromo-2-phenylquinazolin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylquinazolin-4-amine is sourced from PubChem (CID 15879877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).