4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine

C22H26N6O — CID 20898536

IUPAC4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine
SMILESCc1ccccc1-c1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1
InChIInChI=1S/C22H26N6O/c1-15-6-4-5-7-18(15)20-24-22-19-16(2)17(3)27(21(19)23-14-28(22)25-20)9-8-26-10-12-29-13-11-26/h4-7,14H,8-13H2,1-3H3
InChIKeyFUZYKKZKCVTZBD-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.00
Rot. Bonds4

About 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine

4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine (PubChem CID 20898536) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine
PubChem CID20898536
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine
SMILESCc1ccccc1-c1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1
InChIInChI=1S/C22H26N6O/c1-15-6-4-5-7-18(15)20-24-22-19-16(2)17(3)27(21(19)23-14-28(22)25-20)9-8-26-10-12-29-13-11-26/h4-7,14H,8-13H2,1-3H3
InChIKeyFUZYKKZKCVTZBD-UHFFFAOYSA-N
XLogP3.00
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine with MolForge

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CID 4912264
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Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
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CID 44520814
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine (CID 20898536) is 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine is Cc1ccccc1-c1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1.
What is the InChIKey of 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine?
The InChIKey is FUZYKKZKCVTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15-6-4-5-7-18(15)20-24-22-19-16(2)17(3)27(21(19)23-14-28(22)25-20)9-8-26-10-12-29-13-11-26/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine?
4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine has a molecular weight of 390.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine is sourced from PubChem (CID 20898536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).