N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine

C26H28N6O3 — CID 50992386

IUPACN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C26H28N6O3/c1-31(8-11-33-2)16-17-14-20-22-23(35-26(20)28-15-17)25(32-9-12-34-13-10-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3
InChIKeyNGQKZORGFHCWJH-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.83
Rot. Bonds7

About N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine

N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 50992386) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine
PubChem CID50992386
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C26H28N6O3/c1-31(8-11-33-2)16-17-14-20-22-23(35-26(20)28-15-17)25(32-9-12-34-13-10-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3
InChIKeyNGQKZORGFHCWJH-UHFFFAOYSA-N
XLogP3.83
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine (CID 50992386) is N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.
What is the InChIKey of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is NGQKZORGFHCWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-31(8-11-33-2)16-17-14-20-22-23(35-26(20)28-15-17)25(32-9-12-34-13-10-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3.
What are the key properties of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine?
N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 472.55 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 50992386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).