N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide

C21H22N4O5S — CID 4968174

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide
SMILESCC(Oc1ncnc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22N4O5S/c1-15(30-21-18-7-2-3-8-19(18)22-14-23-21)20(26)24-16-5-4-6-17(13-16)31(27,28)25-9-11-29-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,24,26)
InChIKeyLILZNUGXGNIYTE-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.06
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide (PubChem CID 4968174) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide
PubChem CID4968174
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide
SMILESCC(Oc1ncnc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22N4O5S/c1-15(30-21-18-7-2-3-8-19(18)22-14-23-21)20(26)24-16-5-4-6-17(13-16)31(27,28)25-9-11-29-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,24,26)
InChIKeyLILZNUGXGNIYTE-UHFFFAOYSA-N
XLogP2.06
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide (CID 4968174) is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide is CC(Oc1ncnc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide?
The InChIKey is LILZNUGXGNIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-15(30-21-18-7-2-3-8-19(18)22-14-23-21)20(26)24-16-5-4-6-17(13-16)31(27,28)25-9-11-29-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,24,26).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide has a molecular weight of 442.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-yloxypropanamide is sourced from PubChem (CID 4968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).