6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine

C24H22N4O3S — CID 71662761

IUPAC6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-32(30,28-12-14-31-15-13-28)21-9-6-18(7-10-21)19-8-11-23-22(16-19)24(26-17-25-23)27-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,25,26,27)
InChIKeyYCHHZEQRSHMWOM-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.06
Rot. Bonds5

About 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine

6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine (PubChem CID 71662761) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine
PubChem CID71662761
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-32(30,28-12-14-31-15-13-28)21-9-6-18(7-10-21)19-8-11-23-22(16-19)24(26-17-25-23)27-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,25,26,27)
InChIKeyYCHHZEQRSHMWOM-UHFFFAOYSA-N
XLogP4.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine (CID 71662761) is 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine is O=S(=O)(c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine?
The InChIKey is YCHHZEQRSHMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-32(30,28-12-14-31-15-13-28)21-9-6-18(7-10-21)19-8-11-23-22(16-19)24(26-17-25-23)27-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,25,26,27).
What are the key properties of 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine?
6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine has a molecular weight of 446.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 71662761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).