(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine

C23H27N7O2 — CID 29057368

IUPAC(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine
SMILESCc1c(C)n(CCN2CCOCC2)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12
InChIInChI=1S/C23H27N7O2/c1-17-18(2)29(9-8-28-10-12-31-13-11-28)22-21(17)23-26-20(27-30(23)16-24-22)15-32-25-14-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3/b25-14-
InChIKeyAMRPBGMQDWRMQP-QFEZKATASA-N
MW433.52 g/mol
LogP2.58
Rot. Bonds7

About (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine

(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine (PubChem CID 29057368) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine
PubChem CID29057368
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine
SMILESCc1c(C)n(CCN2CCOCC2)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12
InChIInChI=1S/C23H27N7O2/c1-17-18(2)29(9-8-28-10-12-31-13-11-28)22-21(17)23-26-20(27-30(23)16-24-22)15-32-25-14-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3/b25-14-
InChIKeyAMRPBGMQDWRMQP-QFEZKATASA-N
XLogP2.58
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine?
The IUPAC name of (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine (CID 29057368) is (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine is Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12.
What is the InChIKey of (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine?
The InChIKey is AMRPBGMQDWRMQP-QFEZKATASA-N. The full InChI is InChI=1S/C23H27N7O2/c1-17-18(2)29(9-8-28-10-12-31-13-11-28)22-21(17)23-26-20(27-30(23)16-24-22)15-32-25-14-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15H2,1-2H3/b25-14-.
What are the key properties of (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine?
(Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine has a molecular weight of 433.52 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[11,12-dimethyl-10-(2-morpholin-4-ylethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylmethanimine is sourced from PubChem (CID 29057368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).