4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine

C23H23N3O2 — CID 71722358

IUPAC4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
SMILESc1ccc2nc3c(cc(OCCCN4CCOCC4)c4ccccc43)nc2c1
InChIInChI=1S/C23H23N3O2/c1-2-7-18-17(6-1)22(28-13-5-10-26-11-14-27-15-12-26)16-21-23(18)25-20-9-4-3-8-19(20)24-21/h1-4,6-9,16H,5,10-15H2
InChIKeyTYWIYGTUNVWWJJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.04
Rot. Bonds5

About 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine

4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine (PubChem CID 71722358) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine.

Molecular Properties

Compound Name4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
PubChem CID71722358
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
SMILESc1ccc2nc3c(cc(OCCCN4CCOCC4)c4ccccc43)nc2c1
InChIInChI=1S/C23H23N3O2/c1-2-7-18-17(6-1)22(28-13-5-10-26-11-14-27-15-12-26)16-21-23(18)25-20-9-4-3-8-19(20)24-21/h1-4,6-9,16H,5,10-15H2
InChIKeyTYWIYGTUNVWWJJ-UHFFFAOYSA-N
XLogP4.04
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
CID 171933673
5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
CID 174464455
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
CID 162666117
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine?
The IUPAC name of 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine (CID 71722358) is 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine.
What is the SMILES notation for 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine?
The canonical SMILES for 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine is c1ccc2nc3c(cc(OCCCN4CCOCC4)c4ccccc43)nc2c1.
What is the InChIKey of 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine?
The InChIKey is TYWIYGTUNVWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-7-18-17(6-1)22(28-13-5-10-26-11-14-27-15-12-26)16-21-23(18)25-20-9-4-3-8-19(20)24-21/h1-4,6-9,16H,5,10-15H2.
What are the key properties of 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine?
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine has a molecular weight of 373.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine is sourced from PubChem (CID 71722358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).