6-bromo-N-naphthalen-1-ylquinazolin-4-amine

C18H12BrN3 — CID 1187421

IUPAC6-bromo-N-naphthalen-1-ylquinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H12BrN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22)
InChIKeyJGXQMNJFMJIQGL-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.29
Rot. Bonds2

About 6-bromo-N-naphthalen-1-ylquinazolin-4-amine

6-bromo-N-naphthalen-1-ylquinazolin-4-amine (PubChem CID 1187421) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-naphthalen-1-ylquinazolin-4-amine
PubChem CID1187421
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name6-bromo-N-naphthalen-1-ylquinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H12BrN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22)
InChIKeyJGXQMNJFMJIQGL-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-1-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-naphthalen-1-ylquinazolin-4-amine (CID 1187421) is 6-bromo-N-naphthalen-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-naphthalen-1-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-naphthalen-1-ylquinazolin-4-amine is Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-bromo-N-naphthalen-1-ylquinazolin-4-amine?
The InChIKey is JGXQMNJFMJIQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22).
What are the key properties of 6-bromo-N-naphthalen-1-ylquinazolin-4-amine?
6-bromo-N-naphthalen-1-ylquinazolin-4-amine has a molecular weight of 350.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-1-ylquinazolin-4-amine is sourced from PubChem (CID 1187421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).