8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine

C19H21N7O2 — CID 90895193

IUPAC8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine
SMILESNc1ncc2c(n1)-c1c(N3CCOCC3)nc3c(ncn3C3CCOCC3)c1-2
InChIInChI=1S/C19H21N7O2/c20-19-21-9-12-13-14(15(12)23-19)17(25-3-7-28-8-4-25)24-18-16(13)22-10-26(18)11-1-5-27-6-2-11/h9-11H,1-8H2,(H2,20,21,23)
InChIKeySBCRXJDQLGLZRG-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.64
Rot. Bonds2

About 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine

8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine (PubChem CID 90895193) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine.

Molecular Properties

Compound Name8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine
PubChem CID90895193
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine
SMILESNc1ncc2c(n1)-c1c(N3CCOCC3)nc3c(ncn3C3CCOCC3)c1-2
InChIInChI=1S/C19H21N7O2/c20-19-21-9-12-13-14(15(12)23-19)17(25-3-7-28-8-4-25)24-18-16(13)22-10-26(18)11-1-5-27-6-2-11/h9-11H,1-8H2,(H2,20,21,23)
InChIKeySBCRXJDQLGLZRG-UHFFFAOYSA-N
XLogP1.64
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine?
The IUPAC name of 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine (CID 90895193) is 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine.
What is the SMILES notation for 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine?
The canonical SMILES for 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine is Nc1ncc2c(n1)-c1c(N3CCOCC3)nc3c(ncn3C3CCOCC3)c1-2.
What is the InChIKey of 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine?
The InChIKey is SBCRXJDQLGLZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-19-21-9-12-13-14(15(12)23-19)17(25-3-7-28-8-4-25)24-18-16(13)22-10-26(18)11-1-5-27-6-2-11/h9-11H,1-8H2,(H2,20,21,23).
What are the key properties of 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine?
8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine has a molecular weight of 379.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-5-(oxan-4-yl)-3,5,7,11,13-pentazatetracyclo[7.6.0.02,6.010,15]pentadeca-1(9),2(6),3,7,10,12,14-heptaen-12-amine is sourced from PubChem (CID 90895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).