N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C21H22N4O5S — CID 135781247

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22N4O5S/c26-20(9-8-19-23-18-7-2-1-6-17(18)21(27)24-19)22-15-4-3-5-16(14-15)31(28,29)25-10-12-30-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H,23,24,27)
InChIKeyWKZCNINEHABHPS-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.52
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135781247) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135781247
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H22N4O5S/c26-20(9-8-19-23-18-7-2-1-6-17(18)21(27)24-19)22-15-4-3-5-16(14-15)31(28,29)25-10-12-30-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H,23,24,27)
InChIKeyWKZCNINEHABHPS-UHFFFAOYSA-N
XLogP1.52
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135781247) is N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is WKZCNINEHABHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c26-20(9-8-19-23-18-7-2-1-6-17(18)21(27)24-19)22-15-4-3-5-16(14-15)31(28,29)25-10-12-30-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H,23,24,27).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 442.50 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135781247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).