1-[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]-N,N-dimethylmethanamine

C24H24N6O2 — CID 50992382

IUPAC1-[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]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C24H24N6O2/c1-29(2)14-15-12-18-20-21(32-24(18)26-13-15)23(30-8-10-31-11-9-30)28-22(27-20)17-4-3-5-19-16(17)6-7-25-19/h3-7,12-13,25H,8-11,14H2,1-2H3
InChIKeyLANSMPYPEHDHQW-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.82
Rot. Bonds4

About 1-[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]-N,N-dimethylmethanamine

1-[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]-N,N-dimethylmethanamine (PubChem CID 50992382) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[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]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[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]-N,N-dimethylmethanamine
PubChem CID50992382
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[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]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C24H24N6O2/c1-29(2)14-15-12-18-20-21(32-24(18)26-13-15)23(30-8-10-31-11-9-30)28-22(27-20)17-4-3-5-19-16(17)6-7-25-19/h3-7,12-13,25H,8-11,14H2,1-2H3
InChIKeyLANSMPYPEHDHQW-UHFFFAOYSA-N
XLogP3.82
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[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]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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]-N,N-dimethylmethanamine?
The IUPAC name of 1-[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]-N,N-dimethylmethanamine (CID 50992382) is 1-[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]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[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]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[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]-N,N-dimethylmethanamine is CN(C)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.
What is the InChIKey of 1-[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]-N,N-dimethylmethanamine?
The InChIKey is LANSMPYPEHDHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-29(2)14-15-12-18-20-21(32-24(18)26-13-15)23(30-8-10-31-11-9-30)28-22(27-20)17-4-3-5-19-16(17)6-7-25-19/h3-7,12-13,25H,8-11,14H2,1-2H3.
What are the key properties of 1-[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]-N,N-dimethylmethanamine?
1-[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]-N,N-dimethylmethanamine has a molecular weight of 428.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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]-N,N-dimethylmethanamine is sourced from PubChem (CID 50992382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).