6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine

C18H14N4OS — CID 12555988

IUPAC6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)c3cccc4ccccc34)ccc2n1
InChIInChI=1S/C18H14N4OS/c19-17-14-10-12(8-9-15(14)21-18(20)22-17)24(23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H4,19,20,21,22)
InChIKeyOZHYAIOKHYTQRV-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.11
Rot. Bonds2

About 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine

6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine (PubChem CID 12555988) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine
PubChem CID12555988
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)c3cccc4ccccc34)ccc2n1
InChIInChI=1S/C18H14N4OS/c19-17-14-10-12(8-9-15(14)21-18(20)22-17)24(23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H4,19,20,21,22)
InChIKeyOZHYAIOKHYTQRV-UHFFFAOYSA-N
XLogP3.11
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine?
The IUPAC name of 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine (CID 12555988) is 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine.
What is the SMILES notation for 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine?
The canonical SMILES for 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine is Nc1nc(N)c2cc(S(=O)c3cccc4ccccc34)ccc2n1.
What is the InChIKey of 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine?
The InChIKey is OZHYAIOKHYTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c19-17-14-10-12(8-9-15(14)21-18(20)22-17)24(23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H4,19,20,21,22).
What are the key properties of 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine?
6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine has a molecular weight of 334.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine is sourced from PubChem (CID 12555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).