2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide

C23H26N4O — CID 30297224

IUPAC2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)CC1)Nc1cccc2ncccc12
InChIInChI=1S/C23H26N4O/c28-23(25-22-11-4-10-21-20(22)9-5-12-24-21)18-27-14-6-13-26(15-16-27)17-19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,25,28)
InChIKeyDUVDCKFDEXYFHN-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide

2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide (PubChem CID 30297224) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
PubChem CID30297224
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)CC1)Nc1cccc2ncccc12
InChIInChI=1S/C23H26N4O/c28-23(25-22-11-4-10-21-20(22)9-5-12-24-21)18-27-14-6-13-26(15-16-27)17-19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,25,28)
InChIKeyDUVDCKFDEXYFHN-UHFFFAOYSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide 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-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
CID 47055801
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
CID 16618246
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
CID 43038830
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-quinolin-5-ylacetamide
CID 24682364
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-quinolin-5-ylacetamide
CID 92863277
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide (CID 30297224) is 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide is O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1cccc2ncccc12.
What is the InChIKey of 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide?
The InChIKey is DUVDCKFDEXYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(25-22-11-4-10-21-20(22)9-5-12-24-21)18-27-14-6-13-26(15-16-27)17-19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,25,28).
What are the key properties of 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide?
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide has a molecular weight of 374.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 30297224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).