6-naphthalen-2-ylsulfonylquinazolin-4-amine

C18H13N3O2S — CID 630622

IUPAC6-naphthalen-2-ylsulfonylquinazolin-4-amine
SMILESNc1ncnc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C18H13N3O2S/c19-18-16-10-15(7-8-17(16)20-11-21-18)24(22,23)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H2,19,20,21)
InChIKeyGCJMBTQJTVVGNO-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.20
Rot. Bonds2

About 6-naphthalen-2-ylsulfonylquinazolin-4-amine

6-naphthalen-2-ylsulfonylquinazolin-4-amine (PubChem CID 630622) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfonylquinazolin-4-amine.

Molecular Properties

Compound Name6-naphthalen-2-ylsulfonylquinazolin-4-amine
PubChem CID630622
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name6-naphthalen-2-ylsulfonylquinazolin-4-amine
SMILESNc1ncnc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12
InChIInChI=1S/C18H13N3O2S/c19-18-16-10-15(7-8-17(16)20-11-21-18)24(22,23)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H2,19,20,21)
InChIKeyGCJMBTQJTVVGNO-UHFFFAOYSA-N
XLogP3.20
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-naphthalen-2-ylsulfonylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylsulfonylquinazolin-4-amine?
The IUPAC name of 6-naphthalen-2-ylsulfonylquinazolin-4-amine (CID 630622) is 6-naphthalen-2-ylsulfonylquinazolin-4-amine.
What is the SMILES notation for 6-naphthalen-2-ylsulfonylquinazolin-4-amine?
The canonical SMILES for 6-naphthalen-2-ylsulfonylquinazolin-4-amine is Nc1ncnc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12.
What is the InChIKey of 6-naphthalen-2-ylsulfonylquinazolin-4-amine?
The InChIKey is GCJMBTQJTVVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c19-18-16-10-15(7-8-17(16)20-11-21-18)24(22,23)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H2,19,20,21).
What are the key properties of 6-naphthalen-2-ylsulfonylquinazolin-4-amine?
6-naphthalen-2-ylsulfonylquinazolin-4-amine has a molecular weight of 335.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylsulfonylquinazolin-4-amine is sourced from PubChem (CID 630622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).