(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one

C18H20N2O2 — CID 67842705

IUPAC(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
SMILESCOc1ccc2c(c1)c1c3n2C(=O)C[C@H]2CCCN(CC1)[C@@H]32
InChIInChI=1S/C18H20N2O2/c1-22-12-4-5-15-14(10-12)13-6-8-19-7-2-3-11-9-16(21)20(15)18(13)17(11)19/h4-5,10-11,17H,2-3,6-9H2,1H3/t11-,17-/m1/s1
InChIKeyRUINTWKHLCIBMV-PIGZYNQJSA-N
MW296.37 g/mol
LogP3.00
Rot. Bonds1

About (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one

(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one (PubChem CID 67842705) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one.

Molecular Properties

Compound Name(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
PubChem CID67842705
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
SMILESCOc1ccc2c(c1)c1c3n2C(=O)C[C@H]2CCCN(CC1)[C@@H]32
InChIInChI=1S/C18H20N2O2/c1-22-12-4-5-15-14(10-12)13-6-8-19-7-2-3-11-9-16(21)20(15)18(13)17(11)19/h4-5,10-11,17H,2-3,6-9H2,1H3/t11-,17-/m1/s1
InChIKeyRUINTWKHLCIBMV-PIGZYNQJSA-N
XLogP3.00
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one with MolForge

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Related Compounds

9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
CID 54248869
(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene
CID 67824844
12-(4-methoxyphenoxy)-4-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 118081889
(2S,3S,8S)-16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14(19),15,17-tetraene
CID 6352277
1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 13187005
(13aR)-2,3,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
CID 102266018
(1S,9S,17S)-4-methoxy-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
CID 10106525
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
CID 15521808
6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 43865769
(15S,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-one
CID 165367535
ethyl (5S,7R)-6-benzyl-12-methoxy-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-7-carboxylate
CID 11732515
5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one
CID 154495358

Frequently Asked Questions

What is the IUPAC name of (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one?
The IUPAC name of (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one (CID 67842705) is (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one.
What is the SMILES notation for (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one?
The canonical SMILES for (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one is COc1ccc2c(c1)c1c3n2C(=O)C[C@H]2CCCN(CC1)[C@@H]32.
What is the InChIKey of (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one?
The InChIKey is RUINTWKHLCIBMV-PIGZYNQJSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-12-4-5-15-14(10-12)13-6-8-19-7-2-3-11-9-16(21)20(15)18(13)17(11)19/h4-5,10-11,17H,2-3,6-9H2,1H3/t11-,17-/m1/s1.
What are the key properties of (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one?
(15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one has a molecular weight of 296.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19R)-5-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one is sourced from PubChem (CID 67842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).