2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C23H26N4O4S — CID 24529096

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H26N4O4S/c1-16-9-10-18(32(30,31)27-11-4-3-5-12-27)13-20(16)25-21(28)14-26-15-24-22-17(2)7-6-8-19(22)23(26)29/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,25,28)
InChIKeyAQGFXAZKILFTFM-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.83
Rot. Bonds5

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 24529096) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID24529096
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H26N4O4S/c1-16-9-10-18(32(30,31)27-11-4-3-5-12-27)13-20(16)25-21(28)14-26-15-24-22-17(2)7-6-8-19(22)23(26)29/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,25,28)
InChIKeyAQGFXAZKILFTFM-UHFFFAOYSA-N
XLogP2.83
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 22108544
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55811232
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55643698
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 3374362
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 24529096) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is AQGFXAZKILFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-9-10-18(32(30,31)27-11-4-3-5-12-27)13-20(16)25-21(28)14-26-15-24-22-17(2)7-6-8-19(22)23(26)29/h6-10,13,15H,3-5,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 24529096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).