2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide

C26H34N6O2 — CID 22273365

IUPAC2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide
SMILESCNCCOc1ccc(C)c(NC(=O)CN2CC(C)N(c3ncnc4ccccc34)C(C)C2)c1
InChIInChI=1S/C26H34N6O2/c1-18-9-10-21(34-12-11-27-4)13-24(18)30-25(33)16-31-14-19(2)32(20(3)15-31)26-22-7-5-6-8-23(22)28-17-29-26/h5-10,13,17,19-20,27H,11-12,14-16H2,1-4H3,(H,30,33)
InChIKeySXDGJJQTDNWHTK-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.07
Rot. Bonds8

About 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide

2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide (PubChem CID 22273365) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide
PubChem CID22273365
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide
SMILESCNCCOc1ccc(C)c(NC(=O)CN2CC(C)N(c3ncnc4ccccc34)C(C)C2)c1
InChIInChI=1S/C26H34N6O2/c1-18-9-10-21(34-12-11-27-4)13-24(18)30-25(33)16-31-14-19(2)32(20(3)15-31)26-22-7-5-6-8-23(22)28-17-29-26/h5-10,13,17,19-20,27H,11-12,14-16H2,1-4H3,(H,30,33)
InChIKeySXDGJJQTDNWHTK-UHFFFAOYSA-N
XLogP3.07
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide
CID 22273457
2-(3,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 91343933
2-(1-adamantyl)-N-[2-methyl-5-[3-(methylamino)propoxy]phenyl]acetamide;hydrochloride
CID 131722598
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
CID 8898920
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
CID 25030791
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119923981
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide (CID 22273365) is 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide is CNCCOc1ccc(C)c(NC(=O)CN2CC(C)N(c3ncnc4ccccc34)C(C)C2)c1.
What is the InChIKey of 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide?
The InChIKey is SXDGJJQTDNWHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-18-9-10-21(34-12-11-27-4)13-24(18)30-25(33)16-31-14-19(2)32(20(3)15-31)26-22-7-5-6-8-23(22)28-17-29-26/h5-10,13,17,19-20,27H,11-12,14-16H2,1-4H3,(H,30,33).
What are the key properties of 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide?
2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide has a molecular weight of 462.60 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 22273365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).