2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

C26H29Cl2N5O4S — CID 122603687

IUPAC2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(N3CCN(S(=O)(=O)C4CCCC4)CC3)cc2c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H29Cl2N5O4S/c27-22-7-5-18(13-23(22)28)15-29-25(34)16-32-17-30-24-8-6-19(14-21(24)26(32)35)31-9-11-33(12-10-31)38(36,37)20-3-1-2-4-20/h5-8,13-14,17,20H,1-4,9-12,15-16H2,(H,29,34)
InChIKeyALJRMBKUOZWUOE-UHFFFAOYSA-N
MW578.52 g/mol
LogP3.41
Rot. Bonds7

About 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 122603687) has the molecular formula C26H29Cl2N5O4S and a molecular weight of 578.52 g/mol. Its IUPAC name is 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID122603687
Molecular FormulaC26H29Cl2N5O4S
Molecular Weight578.52 g/mol
Exact Mass577.13
IUPAC Name2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(N3CCN(S(=O)(=O)C4CCCC4)CC3)cc2c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H29Cl2N5O4S/c27-22-7-5-18(13-23(22)28)15-29-25(34)16-32-17-30-24-8-6-19(14-21(24)26(32)35)31-9-11-33(12-10-31)38(36,37)20-3-1-2-4-20/h5-8,13-14,17,20H,1-4,9-12,15-16H2,(H,29,34)
InChIKeyALJRMBKUOZWUOE-UHFFFAOYSA-N
XLogP3.41
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 122603807
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-chloro-3-pyridinyl)methyl]acetamide
CID 122603636
2-[6-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxo-1,2,4a,5,6,7,8,8a-octahydroquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 155818357
N-cyclopentyl-4-[3-[2-(3,4-dichloro-N-methylanilino)-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxamide
CID 122603736
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
CID 122603765
2-[6-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 122603818
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
3-[4-(3,4-dichlorophenyl)-2-oxobutyl]-6-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 152955899
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[6-[4-(4-methyl-2-oxopentyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 159112154
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
6-(4-acetylpiperazin-1-yl)-3-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]quinazolin-4-one
CID 172635975
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 122603669

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 122603687) is 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(Cn1cnc2ccc(N3CCN(S(=O)(=O)C4CCCC4)CC3)cc2c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is ALJRMBKUOZWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N5O4S/c27-22-7-5-18(13-23(22)28)15-29-25(34)16-32-17-30-24-8-6-19(14-21(24)26(32)35)31-9-11-33(12-10-31)38(36,37)20-3-1-2-4-20/h5-8,13-14,17,20H,1-4,9-12,15-16H2,(H,29,34).
What are the key properties of 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 578.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 122603687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).