15-(2-morpholin-4-ylethyl)-18-phenyl-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

C27H26N4O2 — CID 3490272

IUPAC15-(2-morpholin-4-ylethyl)-18-phenyl-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)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C27H26N4O2/c28-26-25-23(20-7-2-1-3-8-20)24-21-9-5-4-6-19(21)10-11-22(24)33-27(25)29-18-31(26)13-12-30-14-16-32-17-15-30/h1-11,18,23,28H,12-17H2/b28-26-
InChIKeyJQHNFXIODXZHQN-SGEDCAFJSA-N
MW438.53 g/mol
LogP4.13
Rot. Bonds4

About 15-(2-morpholin-4-ylethyl)-18-phenyl-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

15-(2-morpholin-4-ylethyl)-18-phenyl-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 3490272) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 15-(2-morpholin-4-ylethyl)-18-phenyl-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 Name15-(2-morpholin-4-ylethyl)-18-phenyl-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 CID3490272
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name15-(2-morpholin-4-ylethyl)-18-phenyl-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)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C27H26N4O2/c28-26-25-23(20-7-2-1-3-8-20)24-21-9-5-4-6-19(21)10-11-22(24)33-27(25)29-18-31(26)13-12-30-14-16-32-17-15-30/h1-11,18,23,28H,12-17H2/b28-26-
InChIKeyJQHNFXIODXZHQN-SGEDCAFJSA-N
XLogP4.13
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-(2-morpholin-4-ylethyl)-18-phenyl-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 15-(2-morpholin-4-ylethyl)-18-phenyl-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 15-(2-morpholin-4-ylethyl)-18-phenyl-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 3490272) is 15-(2-morpholin-4-ylethyl)-18-phenyl-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 15-(2-morpholin-4-ylethyl)-18-phenyl-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 15-(2-morpholin-4-ylethyl)-18-phenyl-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)Oc1ccc3ccccc3c1C2c1ccccc1.
What is the InChIKey of 15-(2-morpholin-4-ylethyl)-18-phenyl-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 JQHNFXIODXZHQN-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H26N4O2/c28-26-25-23(20-7-2-1-3-8-20)24-21-9-5-4-6-19(21)10-11-22(24)33-27(25)29-18-31(26)13-12-30-14-16-32-17-15-30/h1-11,18,23,28H,12-17H2/b28-26-.
What are the key properties of 15-(2-morpholin-4-ylethyl)-18-phenyl-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?
15-(2-morpholin-4-ylethyl)-18-phenyl-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 438.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-morpholin-4-ylethyl)-18-phenyl-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 3490272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).