2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile

C26H29N3O3 — CID 122682534

IUPAC2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
SMILESCOCCOc1cccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)c1C#N
InChIInChI=1S/C26H29N3O3/c1-30-15-16-32-26-4-2-3-24(25(26)19-27)22-6-5-21-18-23(8-7-20(21)17-22)28-9-10-29-11-13-31-14-12-29/h2-8,17-18,28H,9-16H2,1H3
InChIKeyGGTLBZSUBIQMSG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.15
Rot. Bonds9

About 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile

2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile (PubChem CID 122682534) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
PubChem CID122682534
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
SMILESCOCCOc1cccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)c1C#N
InChIInChI=1S/C26H29N3O3/c1-30-15-16-32-26-4-2-3-24(25(26)19-27)22-6-5-21-18-23(8-7-20(21)17-22)28-9-10-29-11-13-31-14-12-29/h2-8,17-18,28H,9-16H2,1H3
InChIKeyGGTLBZSUBIQMSG-UHFFFAOYSA-N
XLogP4.15
TPSA66.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
CID 123577017
(E)-1-cyano-N-(2-methoxyethyl)-2-[1-methyl-5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]pyrrol-2-yl]prop-1-ene-1-sulfinamide
CID 130374774
2-[6-[2-(azepan-1-yl)ethylamino]naphthalen-2-yl]benzonitrile
CID 118401018
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-6-(6-morpholin-4-ylnaphthalen-2-yl)benzonitrile
CID 144927854
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-[4-(2-morpholin-4-ylethylamino)phenyl]pyridine-3-carbonitrile
CID 123516424
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
1-cyano-N-(4-hydroxy-2-methylbutan-2-yl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide
CID 123807138
(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen
CID 167575877
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109183829
(E)-2-cyano-N-methyl-3-[1-methyl-5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]pyrrol-2-yl]prop-2-enamide
CID 144928024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile?
The IUPAC name of 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile (CID 122682534) is 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile?
The canonical SMILES for 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile is COCCOc1cccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)c1C#N.
What is the InChIKey of 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile?
The InChIKey is GGTLBZSUBIQMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-30-15-16-32-26-4-2-3-24(25(26)19-27)22-6-5-21-18-23(8-7-20(21)17-22)28-9-10-29-11-13-31-14-12-29/h2-8,17-18,28H,9-16H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile?
2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile has a molecular weight of 431.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 122682534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).