1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone

C23H33N5O3 — CID 177002894

IUPAC1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone
SMILESCCOC/C=N/c1cc2ccc(CCCN3CCN(C(=O)COC)CC3)cc2nc1N
InChIInChI=1S/C23H33N5O3/c1-3-31-14-8-25-21-16-19-7-6-18(15-20(19)26-23(21)24)5-4-9-27-10-12-28(13-11-27)22(29)17-30-2/h6-8,15-16H,3-5,9-14,17H2,1-2H3,(H2,24,26)/b25-8+
InChIKeyKLJCOPRHGDFVON-ZNLRHDTNSA-N
MW427.55 g/mol
LogP2.28
Rot. Bonds10

About 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 177002894) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID177002894
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone
SMILESCCOC/C=N/c1cc2ccc(CCCN3CCN(C(=O)COC)CC3)cc2nc1N
InChIInChI=1S/C23H33N5O3/c1-3-31-14-8-25-21-16-19-7-6-18(15-20(19)26-23(21)24)5-4-9-27-10-12-28(13-11-27)22(29)17-30-2/h6-8,15-16H,3-5,9-14,17H2,1-2H3,(H2,24,26)/b25-8+
InChIKeyKLJCOPRHGDFVON-ZNLRHDTNSA-N
XLogP2.28
TPSA93.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

7-[3-(4-tert-butylpiperazin-1-yl)propyl]-3-(pentylideneamino)quinolin-2-amine
CID 177002867
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 61277558
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine
CID 177002721

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone (CID 177002894) is 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone is CCOC/C=N/c1cc2ccc(CCCN3CCN(C(=O)COC)CC3)cc2nc1N.
What is the InChIKey of 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is KLJCOPRHGDFVON-ZNLRHDTNSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-3-31-14-8-25-21-16-19-7-6-18(15-20(19)26-23(21)24)5-4-9-27-10-12-28(13-11-27)22(29)17-30-2/h6-8,15-16H,3-5,9-14,17H2,1-2H3,(H2,24,26)/b25-8+.
What are the key properties of 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 427.55 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-amino-3-(2-ethoxyethylideneamino)quinolin-7-yl]propyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 177002894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).