6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine

C17H17N3O4S — CID 74250739

IUPAC6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(S(C)(=O)=O)cc3)nc(N)c2cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-14-8-12-13(9-15(14)24-2)19-17(20-16(12)18)10-4-6-11(7-5-10)25(3,21)22/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyLJIXFKIEZDBTMY-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.30
Rot. Bonds4

About 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine

6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine (PubChem CID 74250739) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
PubChem CID74250739
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(S(C)(=O)=O)cc3)nc(N)c2cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-14-8-12-13(9-15(14)24-2)19-17(20-16(12)18)10-4-6-11(7-5-10)25(3,21)22/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyLJIXFKIEZDBTMY-UHFFFAOYSA-N
XLogP2.30
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine (CID 74250739) is 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine is COc1cc2nc(-c3ccc(S(C)(=O)=O)cc3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine?
The InChIKey is LJIXFKIEZDBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-14-8-12-13(9-15(14)24-2)19-17(20-16(12)18)10-4-6-11(7-5-10)25(3,21)22/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine?
6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine has a molecular weight of 359.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine is sourced from PubChem (CID 74250739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).