N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide

C22H25N5O — CID 109010669

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
SMILESCN1CCN(c2ccc(NC(=O)CNc3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)19-9-7-18(8-10-19)25-21(28)16-24-20-6-2-4-17-5-3-11-23-22(17)20/h2-11,24H,12-16H2,1H3,(H,25,28)
InChIKeyLSWAXXPFDBHJGX-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.04
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide (PubChem CID 109010669) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
PubChem CID109010669
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
SMILESCN1CCN(c2ccc(NC(=O)CNc3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)19-9-7-18(8-10-19)25-21(28)16-24-20-6-2-4-17-5-3-11-23-22(17)20/h2-11,24H,12-16H2,1H3,(H,25,28)
InChIKeyLSWAXXPFDBHJGX-UHFFFAOYSA-N
XLogP3.04
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-ylmethylamino)acetamide
CID 108999433
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
2-(2-morpholin-4-ylanilino)-N-quinolin-8-ylacetamide
CID 109010597
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide (CID 109010669) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide is CN1CCN(c2ccc(NC(=O)CNc3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide?
The InChIKey is LSWAXXPFDBHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)19-9-7-18(8-10-19)25-21(28)16-24-20-6-2-4-17-5-3-11-23-22(17)20/h2-11,24H,12-16H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide is sourced from PubChem (CID 109010669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).