4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene

C20H21NO4 — CID 100937143

IUPAC4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene
SMILESCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2
InChIInChI=1S/C20H21NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10H,5-7H2,1-4H3
InChIKeyOYONMULSODZRLZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.29
Rot. Bonds4

About 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene

4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene (PubChem CID 100937143) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene.

Molecular Properties

Compound Name4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene
PubChem CID100937143
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene
SMILESCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2
InChIInChI=1S/C20H21NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10H,5-7H2,1-4H3
InChIKeyOYONMULSODZRLZ-UHFFFAOYSA-N
XLogP3.29
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 44625349
1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 11995365
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
CID 3578566
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
CID 54611410
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
CID 135817515
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 139635568
1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 101485543

Frequently Asked Questions

What is the IUPAC name of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene?
The IUPAC name of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene (CID 100937143) is 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene.
What is the SMILES notation for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene?
The canonical SMILES for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene is COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2.
What is the InChIKey of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene?
The InChIKey is OYONMULSODZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10H,5-7H2,1-4H3.
What are the key properties of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene?
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene has a molecular weight of 339.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene is sourced from PubChem (CID 100937143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).