11-(4-methoxyphenyl)-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

C28H28N4O3 — CID 4545471

IUPAC11-(4-methoxyphenyl)-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)cc1
InChIInChI=1S/C28H28N4O3/c1-33-21-9-6-20(7-10-21)24-23-11-8-19-4-2-3-5-22(19)26(23)35-28-25(24)27(29)32(18-30-28)13-12-31-14-16-34-17-15-31/h2-11,18,24,29H,12-17H2,1H3/b29-27-
InChIKeyMWWQHDHMEKCLAC-OHYPFYFLSA-N
MW468.56 g/mol
LogP4.14
Rot. Bonds5

About 11-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 4545471) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 CID4545471
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name11-(4-methoxyphenyl)-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)cc1
InChIInChI=1S/C28H28N4O3/c1-33-21-9-6-20(7-10-21)24-23-11-8-19-4-2-3-5-22(19)26(23)35-28-25(24)27(29)32(18-30-28)13-12-31-14-16-34-17-15-31/h2-11,18,24,29H,12-17H2,1H3/b29-27-
InChIKeyMWWQHDHMEKCLAC-OHYPFYFLSA-N
XLogP4.14
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 4545471) is 11-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-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 MWWQHDHMEKCLAC-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-33-21-9-6-20(7-10-21)24-23-11-8-19-4-2-3-5-22(19)26(23)35-28-25(24)27(29)32(18-30-28)13-12-31-14-16-34-17-15-31/h2-11,18,24,29H,12-17H2,1H3/b29-27-.
What are the key properties of 11-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 468.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-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 4545471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).