2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide

C24H26ClN5O3 — CID 122603669

IUPAC2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(c2ccc3ncn(CC(=O)NC(C)c4ccc(Cl)cc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H26ClN5O3/c1-16(18-3-5-19(25)6-4-18)27-23(32)14-30-15-26-22-8-7-20(13-21(22)24(30)33)29-11-9-28(10-12-29)17(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,32)
InChIKeyVSVDTTGNCIIZJV-UHFFFAOYSA-N
MW467.96 g/mol
LogP2.60
Rot. Bonds5

About 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 122603669) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID122603669
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(c2ccc3ncn(CC(=O)NC(C)c4ccc(Cl)cc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H26ClN5O3/c1-16(18-3-5-19(25)6-4-18)27-23(32)14-30-15-26-22-8-7-20(13-21(22)24(30)33)29-11-9-28(10-12-29)17(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,32)
InChIKeyVSVDTTGNCIIZJV-UHFFFAOYSA-N
XLogP2.60
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
CID 122603685
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-chloro-3-pyridinyl)methyl]acetamide
CID 122603636
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[(3,4-dichlorophenyl)methyl]-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 122603807
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
CID 122603765
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 122603669) is 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(=O)N1CCN(c2ccc3ncn(CC(=O)NC(C)c4ccc(Cl)cc4)c(=O)c3c2)CC1.
What is the InChIKey of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is VSVDTTGNCIIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-16(18-3-5-19(25)6-4-18)27-23(32)14-30-15-26-22-8-7-20(13-21(22)24(30)33)29-11-9-28(10-12-29)17(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,32).
What are the key properties of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 467.96 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 122603669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).