3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H24N4O4S — CID 1291315

IUPAC3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O4S/c27-21(12-15-25-16-23-20-7-3-2-6-19(20)22(25)28)24-17-8-10-18(11-9-17)31(29,30)26-13-4-1-5-14-26/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27)
InChIKeyYRYNHFCJTNSYHV-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.60
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 1291315) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID1291315
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O4S/c27-21(12-15-25-16-23-20-7-3-2-6-19(20)22(25)28)24-17-8-10-18(11-9-17)31(29,30)26-13-4-1-5-14-26/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27)
InChIKeyYRYNHFCJTNSYHV-UHFFFAOYSA-N
XLogP2.60
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 25486257
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064265

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 1291315) is 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YRYNHFCJTNSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-21(12-15-25-16-23-20-7-3-2-6-19(20)22(25)28)24-17-8-10-18(11-9-17)31(29,30)26-13-4-1-5-14-26/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 440.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 1291315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).