4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine

C32H38N2O2 — CID 170870035

IUPAC4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
SMILESc1ccc2cc3c(CCCN4CCOCC4)c4ccccc4c(CCCN4CCOCC4)c3cc2c1
InChIInChI=1S/C32H38N2O2/c1-2-8-26-24-32-30(12-6-14-34-17-21-36-22-18-34)28-10-4-3-9-27(28)29(31(32)23-25(26)7-1)11-5-13-33-15-19-35-20-16-33/h1-4,7-10,23-24H,5-6,11-22H2
InChIKeySVYYVSZBWRUICQ-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.68
Rot. Bonds8

About 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine

4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine (PubChem CID 170870035) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
PubChem CID170870035
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
SMILESc1ccc2cc3c(CCCN4CCOCC4)c4ccccc4c(CCCN4CCOCC4)c3cc2c1
InChIInChI=1S/C32H38N2O2/c1-2-8-26-24-32-30(12-6-14-34-17-21-36-22-18-34)28-10-4-3-9-27(28)29(31(32)23-25(26)7-1)11-5-13-33-15-19-35-20-16-33/h1-4,7-10,23-24H,5-6,11-22H2
InChIKeySVYYVSZBWRUICQ-UHFFFAOYSA-N
XLogP5.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
2-[[1-(3-morpholin-4-ylpropyl)naphthalen-2-yl]amino]acetamide
CID 71197681
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480

Frequently Asked Questions

What is the IUPAC name of 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine?
The IUPAC name of 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine (CID 170870035) is 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine is c1ccc2cc3c(CCCN4CCOCC4)c4ccccc4c(CCCN4CCOCC4)c3cc2c1.
What is the InChIKey of 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine?
The InChIKey is SVYYVSZBWRUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-2-8-26-24-32-30(12-6-14-34-17-21-36-22-18-34)28-10-4-3-9-27(28)29(31(32)23-25(26)7-1)11-5-13-33-15-19-35-20-16-33/h1-4,7-10,23-24H,5-6,11-22H2.
What are the key properties of 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine?
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine has a molecular weight of 482.67 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine is sourced from PubChem (CID 170870035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).