4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine

C25H28N4O — CID 154667498

IUPAC4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine
SMILESc1ccc2c3c4c(nc2c1)c1ccccc1n4CCCN3CCCN1CCOCC1
InChIInChI=1S/C25H28N4O/c1-3-9-21-19(7-1)24-25-23(26-21)20-8-2-4-10-22(20)29(25)14-6-13-28(24)12-5-11-27-15-17-30-18-16-27/h1-4,7-10H,5-6,11-18H2
InChIKeyZKGFAOIXTQLLPS-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.28
Rot. Bonds4

About 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine

4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine (PubChem CID 154667498) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine
PubChem CID154667498
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine
SMILESc1ccc2c3c4c(nc2c1)c1ccccc1n4CCCN3CCCN1CCOCC1
InChIInChI=1S/C25H28N4O/c1-3-9-21-19(7-1)24-25-23(26-21)20-8-2-4-10-22(20)29(25)14-6-13-28(24)12-5-11-27-15-17-30-18-16-27/h1-4,7-10H,5-6,11-18H2
InChIKeyZKGFAOIXTQLLPS-UHFFFAOYSA-N
XLogP4.28
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine 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

1-[2-[[12-[3-(4-methylpiperazin-1-yl)propyl]-8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14(19),15,17-octaen-17-yl]amino]ethyl]piperidin-4-ol
CID 155041734
4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 157491856
11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
CID 171933673
4-[3-[2-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),4,6,13(21),14,16,18-heptaen-12-yl]propyl]morpholine
CID 155041731
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
5-methyl-3-(3-morpholin-4-ylpropyl)pyrimido[5,4-b]indol-4-one
CID 666243
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
3-chloro-N-(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethyl)indolo[3,2-b]quinolin-1-amine
CID 118728376
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
CID 2325577
4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
CID 130289500

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine?
The IUPAC name of 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine (CID 154667498) is 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine is c1ccc2c3c4c(nc2c1)c1ccccc1n4CCCN3CCCN1CCOCC1.
What is the InChIKey of 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine?
The InChIKey is ZKGFAOIXTQLLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-9-21-19(7-1)24-25-23(26-21)20-8-2-4-10-22(20)29(25)14-6-13-28(24)12-5-11-27-15-17-30-18-16-27/h1-4,7-10H,5-6,11-18H2.
What are the key properties of 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine?
4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine has a molecular weight of 400.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine is sourced from PubChem (CID 154667498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).