14-(2-morpholin-4-ylethyl)-11-phenyl-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

C27H26N4O2 — CID 4266456

IUPAC14-(2-morpholin-4-ylethyl)-11-phenyl-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)C2c1ccccc1
InChIInChI=1S/C27H26N4O2/c28-26-24-23(20-7-2-1-3-8-20)22-11-10-19-6-4-5-9-21(19)25(22)33-27(24)29-18-31(26)13-12-30-14-16-32-17-15-30/h1-11,18,23,28H,12-17H2/b28-26-
InChIKeyPIJBYDDOCXHZFH-SGEDCAFJSA-N
MW438.53 g/mol
LogP4.13
Rot. Bonds4

About 14-(2-morpholin-4-ylethyl)-11-phenyl-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

14-(2-morpholin-4-ylethyl)-11-phenyl-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 4266456) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 14-(2-morpholin-4-ylethyl)-11-phenyl-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 Name14-(2-morpholin-4-ylethyl)-11-phenyl-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 CID4266456
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name14-(2-morpholin-4-ylethyl)-11-phenyl-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)C2c1ccccc1
InChIInChI=1S/C27H26N4O2/c28-26-24-23(20-7-2-1-3-8-20)22-11-10-19-6-4-5-9-21(19)25(22)33-27(24)29-18-31(26)13-12-30-14-16-32-17-15-30/h1-11,18,23,28H,12-17H2/b28-26-
InChIKeyPIJBYDDOCXHZFH-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 14-(2-morpholin-4-ylethyl)-11-phenyl-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 14-(2-morpholin-4-ylethyl)-11-phenyl-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 14-(2-morpholin-4-ylethyl)-11-phenyl-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 4266456) is 14-(2-morpholin-4-ylethyl)-11-phenyl-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 14-(2-morpholin-4-ylethyl)-11-phenyl-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 14-(2-morpholin-4-ylethyl)-11-phenyl-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)C2c1ccccc1.
What is the InChIKey of 14-(2-morpholin-4-ylethyl)-11-phenyl-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 PIJBYDDOCXHZFH-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H26N4O2/c28-26-24-23(20-7-2-1-3-8-20)22-11-10-19-6-4-5-9-21(19)25(22)33-27(24)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 14-(2-morpholin-4-ylethyl)-11-phenyl-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?
14-(2-morpholin-4-ylethyl)-11-phenyl-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 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 14-(2-morpholin-4-ylethyl)-11-phenyl-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 4266456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).