2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile

C24H25N3O — CID 123577017

IUPAC2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2cc(NCCN3CCCOCC3)ccc2c1
InChIInChI=1S/C24H25N3O/c25-18-22-4-1-2-5-24(22)21-7-6-20-17-23(9-8-19(20)16-21)26-10-12-27-11-3-14-28-15-13-27/h1-2,4-9,16-17,26H,3,10-15H2
InChIKeyQXBFNJZFRCSVLN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.51
Rot. Bonds5

About 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile

2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile (PubChem CID 123577017) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
PubChem CID123577017
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2cc(NCCN3CCCOCC3)ccc2c1
InChIInChI=1S/C24H25N3O/c25-18-22-4-1-2-5-24(22)21-7-6-20-17-23(9-8-19(20)16-21)26-10-12-27-11-3-14-28-15-13-27/h1-2,4-9,16-17,26H,3,10-15H2
InChIKeyQXBFNJZFRCSVLN-UHFFFAOYSA-N
XLogP4.51
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile 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-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
2-[6-[2-(azepan-1-yl)ethylamino]naphthalen-2-yl]benzonitrile
CID 118401018
2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 122682534
2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile
CID 159726231
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
CID 130375257
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile?
The IUPAC name of 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile (CID 123577017) is 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc2cc(NCCN3CCCOCC3)ccc2c1.
What is the InChIKey of 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile?
The InChIKey is QXBFNJZFRCSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c25-18-22-4-1-2-5-24(22)21-7-6-20-17-23(9-8-19(20)16-21)26-10-12-27-11-3-14-28-15-13-27/h1-2,4-9,16-17,26H,3,10-15H2.
What are the key properties of 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile?
2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile has a molecular weight of 371.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 123577017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).