2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione

C23H26N2O5 — CID 156840921

IUPAC2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
SMILESCOC1c2cc(=O)c(OCc3ccccc3)c3n2C2(CCCCN(C2)C3=O)C1OC
InChIInChI=1S/C23H26N2O5/c1-28-19-16-12-17(26)20(30-13-15-8-4-3-5-9-15)18-22(27)24-11-7-6-10-23(14-24,25(16)18)21(19)29-2/h3-5,8-9,12,19,21H,6-7,10-11,13-14H2,1-2H3
InChIKeyCCNTXUYAORKVGZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.48
Rot. Bonds5

About 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione

2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione (PubChem CID 156840921) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione.

Molecular Properties

Compound Name2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
PubChem CID156840921
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
SMILESCOC1c2cc(=O)c(OCc3ccccc3)c3n2C2(CCCCN(C2)C3=O)C1OC
InChIInChI=1S/C23H26N2O5/c1-28-19-16-12-17(26)20(30-13-15-8-4-3-5-9-15)18-22(27)24-11-7-6-10-23(14-24,25(16)18)21(19)29-2/h3-5,8-9,12,19,21H,6-7,10-11,13-14H2,1-2H3
InChIKeyCCNTXUYAORKVGZ-UHFFFAOYSA-N
XLogP2.48
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 156840822
5-iodo-3-methoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 157055921
ethane;5-methyl-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 156840863
(1R,2R,3R)-7-hydroxy-2,3-dimethoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 159809656
(1S)-7-hydroxy-3-(hydroxymethyl)-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;bis((1S)-3-(hydroxymethyl)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide);(1S)-3-(hydroxymethyl)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;(1S)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 160650526
(1S)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 162465967
3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 161375838
3-hydroxy-10-(2-methoxyethyl)-7-phenylmethoxy-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-6,9-dione
CID 153312163
6-hydroxy-1-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;1-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 159784918
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(fluoromethyl)-5,8-dioxo-6-phenylmethoxy-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145958
1-benzhydryl-8-methoxy-5-phenylmethoxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70369349
11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione
CID 134573016

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?
The IUPAC name of 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione (CID 156840921) is 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione.
What is the SMILES notation for 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?
The canonical SMILES for 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione is COC1c2cc(=O)c(OCc3ccccc3)c3n2C2(CCCCN(C2)C3=O)C1OC.
What is the InChIKey of 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?
The InChIKey is CCNTXUYAORKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-19-16-12-17(26)20(30-13-15-8-4-3-5-9-15)18-22(27)24-11-7-6-10-23(14-24,25(16)18)21(19)29-2/h3-5,8-9,12,19,21H,6-7,10-11,13-14H2,1-2H3.
What are the key properties of 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?
2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione has a molecular weight of 410.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione is sourced from PubChem (CID 156840921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).