N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

C25H24N4O3S — CID 71662762

IUPACN-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-2-7-21(8-3-18)28-25-23-16-20(6-11-24(23)26-17-27-25)19-4-9-22(10-5-19)33(30,31)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyJCFXEWZRKOKTSB-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.37
Rot. Bonds5

About N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (PubChem CID 71662762) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
PubChem CID71662762
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-2-7-21(8-3-18)28-25-23-16-20(6-11-24(23)26-17-27-25)19-4-9-22(10-5-19)33(30,31)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyJCFXEWZRKOKTSB-UHFFFAOYSA-N
XLogP4.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (CID 71662762) is N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is Cc1ccc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The InChIKey is JCFXEWZRKOKTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-18-2-7-21(8-3-18)28-25-23-16-20(6-11-24(23)26-17-27-25)19-4-9-22(10-5-19)33(30,31)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,26,27,28).
What are the key properties of N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine has a molecular weight of 460.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71662762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).