(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one

C21H27NO5 — CID 102039756

IUPAC(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one
SMILESCOC1=C2CCc3cc(OC)c(OC)cc3[C@@]23CCN(C)[C@]1(OC)C(=O)C3
InChIInChI=1S/C21H27NO5/c1-22-9-8-20-12-18(23)21(22,27-5)19(26-4)14(20)7-6-13-10-16(24-2)17(25-3)11-15(13)20/h10-11H,6-9,12H2,1-5H3/t20-,21+/m1/s1
InChIKeyJGVDHWLFNZIZPY-RTWAWAEBSA-N
MW373.45 g/mol
LogP2.44
Rot. Bonds4

About (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one

(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one (PubChem CID 102039756) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one.

Molecular Properties

Compound Name(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one
PubChem CID102039756
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one
SMILESCOC1=C2CCc3cc(OC)c(OC)cc3[C@@]23CCN(C)[C@]1(OC)C(=O)C3
InChIInChI=1S/C21H27NO5/c1-22-9-8-20-12-18(23)21(22,27-5)19(26-4)14(20)7-6-13-10-16(24-2)17(25-3)11-15(13)20/h10-11H,6-9,12H2,1-5H3/t20-,21+/m1/s1
InChIKeyJGVDHWLFNZIZPY-RTWAWAEBSA-N
XLogP2.44
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one with MolForge

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Related Compounds

(1R,12S)-4,11,12-trimethoxy-3-(methoxymethoxy)-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-17-one
CID 25215819
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 134427476
7-methoxy-1,1-dimethyl-6-(4-methylpiperazin-1-yl)sulfanyl-3,4-dihydronaphthalen-2-one
CID 134375895
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone
CID 135109735
(1S,10S)-4,11,12-trimethoxy-17-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
CID 177471071
(1S,13R)-4,5-dimethoxy-14-oxa-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-11,15-dione
CID 11808847
1,1-dichloro-9b-(1-chloroethyl)-7,8-dimethoxy-4,5-dihydroazeto[2,1-a]isoquinolin-2-one
CID 11793180
1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
CID 102589038
6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
CID 142365913
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
CID 101079633

Frequently Asked Questions

What is the IUPAC name of (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one?
The IUPAC name of (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one (CID 102039756) is (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one.
What is the SMILES notation for (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one?
The canonical SMILES for (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one is COC1=C2CCc3cc(OC)c(OC)cc3[C@@]23CCN(C)[C@]1(OC)C(=O)C3.
What is the InChIKey of (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one?
The InChIKey is JGVDHWLFNZIZPY-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H27NO5/c1-22-9-8-20-12-18(23)21(22,27-5)19(26-4)14(20)7-6-13-10-16(24-2)17(25-3)11-15(13)20/h10-11H,6-9,12H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one?
(1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one has a molecular weight of 373.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-4,5,11,12-tetramethoxy-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2,4,6,10-tetraen-17-one is sourced from PubChem (CID 102039756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).