1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone

C16H19N3O2 — CID 103044837

IUPAC1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
SMILESO=C(COc1cccc2ncccc12)N1CCCNCC1
InChIInChI=1S/C16H19N3O2/c20-16(19-10-3-7-17-9-11-19)12-21-15-6-1-5-14-13(15)4-2-8-18-14/h1-2,4-6,8,17H,3,7,9-12H2
InChIKeyQDPDPWTTWSYZJW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.44
Rot. Bonds3

About 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone

1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone (PubChem CID 103044837) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
PubChem CID103044837
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
SMILESO=C(COc1cccc2ncccc12)N1CCCNCC1
InChIInChI=1S/C16H19N3O2/c20-16(19-10-3-7-17-9-11-19)12-21-15-6-1-5-14-13(15)4-2-8-18-14/h1-2,4-6,8,17H,3,7,9-12H2
InChIKeyQDPDPWTTWSYZJW-UHFFFAOYSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-2-methylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119418195
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
1-(1,4-diazepan-1-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107147061
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
1-(1,4-diazepan-1-yl)-2-(2,5-dimethylphenoxy)ethanone;hydrochloride
CID 119417110
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone (CID 103044837) is 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone is O=C(COc1cccc2ncccc12)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone?
The InChIKey is QDPDPWTTWSYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(19-10-3-7-17-9-11-19)12-21-15-6-1-5-14-13(15)4-2-8-18-14/h1-2,4-6,8,17H,3,7,9-12H2.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone?
1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone has a molecular weight of 285.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone is sourced from PubChem (CID 103044837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).