11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine

C29H30N4O4 — CID 3341861

IUPAC11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1c(ccc3ccccc13)C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O4/c1-34-23-10-8-20(17-24(23)35-2)25-22-9-7-19-5-3-4-6-21(19)27(22)37-29-26(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-
InChIKeyGSERGROVPXUNDV-HYOGKJQXSA-N
MW498.58 g/mol
LogP4.15
Rot. Bonds6

About 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine

11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine (PubChem CID 3341861) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine.

Molecular Properties

Compound Name11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine
PubChem CID3341861
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1c(ccc3ccccc13)C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H30N4O4/c1-34-23-10-8-20(17-24(23)35-2)25-22-9-7-19-5-3-4-6-21(19)27(22)37-29-26(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-
InChIKeyGSERGROVPXUNDV-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 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine?
The IUPAC name of 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine (CID 3341861) is 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine.
What is the SMILES notation for 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine?
The canonical SMILES for 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1c(ccc3ccccc13)C2c1ccc(OC)c(OC)c1.
What is the InChIKey of 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine?
The InChIKey is GSERGROVPXUNDV-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-34-23-10-8-20(17-24(23)35-2)25-22-9-7-19-5-3-4-6-21(19)27(22)37-29-26(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 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine?
11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-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 11-(3,4-dimethoxyphenyl)-14-(2-morpholin-4-ylethyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-imine is sourced from PubChem (CID 3341861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).