18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

C29H30N4O4 — CID 3719993

IUPAC18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1ccc3ccccc3c1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O4/c1-34-22-9-8-20(17-24(22)35-2)25-26-21-6-4-3-5-19(21)7-10-23(26)37-29-27(25)28(30)33(18-31-29)12-11-32-13-15-36-16-14-32/h3-10,17-18,25,30H,11-16H2,1-2H3/b30-28-
InChIKeyHTAQOIIMDZRODK-HYOGKJQXSA-N
MW498.58 g/mol
LogP4.15
Rot. Bonds6

About 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (PubChem CID 3719993) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.

Molecular Properties

Compound Name18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
PubChem CID3719993
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1ccc3ccccc3c1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O4/c1-34-22-9-8-20(17-24(22)35-2)25-26-21-6-4-3-5-19(21)7-10-23(26)37-29-27(25)28(30)33(18-31-29)12-11-32-13-15-36-16-14-32/h3-10,17-18,25,30H,11-16H2,1-2H3/b30-28-
InChIKeyHTAQOIIMDZRODK-HYOGKJQXSA-N
XLogP4.15
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The IUPAC name of 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (CID 3719993) is 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.
What is the SMILES notation for 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The canonical SMILES for 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1ccc3ccccc3c1C2c1ccc(OC)c(OC)c1.
What is the InChIKey of 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The InChIKey is HTAQOIIMDZRODK-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-34-22-9-8-20(17-24(22)35-2)25-26-21-6-4-3-5-19(21)7-10-23(26)37-29-27(25)28(30)33(18-31-29)12-11-32-13-15-36-16-14-32/h3-10,17-18,25,30H,11-16H2,1-2H3/b30-28-.
What are the key properties of 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine has a molecular weight of 498.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3,4-dimethoxyphenyl)-15-(2-morpholin-4-ylethyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is sourced from PubChem (CID 3719993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).