2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide

C19H26N4O2 — CID 50949310

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
SMILESCN1CCCN(CC(=O)NCCOc2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-11-23(13-12-22)15-18(24)20-9-14-25-17-7-2-5-16-6-3-8-21-19(16)17/h2-3,5-8H,4,9-15H2,1H3,(H,20,24)
InChIKeyTYKIQZSKGBYHTR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.37
Rot. Bonds6

About 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide (PubChem CID 50949310) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
PubChem CID50949310
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
SMILESCN1CCCN(CC(=O)NCCOc2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O2/c1-22-10-4-11-23(13-12-22)15-18(24)20-9-14-25-17-7-2-5-16-6-3-8-21-19(16)17/h2-3,5-8H,4,9-15H2,1H3,(H,20,24)
InChIKeyTYKIQZSKGBYHTR-UHFFFAOYSA-N
XLogP1.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 50969531
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 97193156
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131919717
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585413
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide (CID 50949310) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide is CN1CCCN(CC(=O)NCCOc2cccc3cccnc23)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
The InChIKey is TYKIQZSKGBYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-10-4-11-23(13-12-22)15-18(24)20-9-14-25-17-7-2-5-16-6-3-8-21-19(16)17/h2-3,5-8H,4,9-15H2,1H3,(H,20,24).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide is sourced from PubChem (CID 50949310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).