(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one

C23H21NO5 — CID 58747642

IUPAC(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
SMILESCC/C=C1\c2cc3c(cc2-c2c1c1cc(OC)c(OC)cc1c(=O)n2C)OCO3
InChIInChI=1S/C23H21NO5/c1-5-6-12-13-7-19-20(29-11-28-19)9-15(13)22-21(12)14-8-17(26-3)18(27-4)10-16(14)23(25)24(22)2/h6-10H,5,11H2,1-4H3/b12-6+
InChIKeyJHQNUIMMLICIJE-WUXMJOGZSA-N
MW391.42 g/mol
LogP4.11
Rot. Bonds3

About (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one

(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one (PubChem CID 58747642) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one.

Molecular Properties

Compound Name(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
PubChem CID58747642
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
SMILESCC/C=C1\c2cc3c(cc2-c2c1c1cc(OC)c(OC)cc1c(=O)n2C)OCO3
InChIInChI=1S/C23H21NO5/c1-5-6-12-13-7-19-20(29-11-28-19)9-15(13)22-21(12)14-8-17(26-3)18(27-4)10-16(14)23(25)24(22)2/h6-10H,5,11H2,1-4H3/b12-6+
InChIKeyJHQNUIMMLICIJE-WUXMJOGZSA-N
XLogP4.11
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15,16-dimethoxy-20-[(3R)-oxolan-3-yl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 155810361
20-(4-hydroxycyclohexyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 155806071
20-ethyl-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
CID 10618823
20-[3-(4-aminobutylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 45027849
20-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 11260161
20-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 172915109
3-(6-ethenyl-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-prop-2-enylisoquinolin-1-one
CID 53497030
15-[3-(dimethylamino)propoxy]-16-methoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 86765191
17,18-dimethoxy-5,7,11-trioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15,17,19-heptaen-14-one
CID 102133291
9-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-2-methyl-3H-benzo[f]isoindol-1-one
CID 90317230
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
[9-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)-6,7-dimethoxy-1,3-dioxobenzo[f]isoindol-4-yl] acetate
CID 139511912

Frequently Asked Questions

What is the IUPAC name of (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one?
The IUPAC name of (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one (CID 58747642) is (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one.
What is the SMILES notation for (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one?
The canonical SMILES for (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one is CC/C=C1\c2cc3c(cc2-c2c1c1cc(OC)c(OC)cc1c(=O)n2C)OCO3.
What is the InChIKey of (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one?
The InChIKey is JHQNUIMMLICIJE-WUXMJOGZSA-N. The full InChI is InChI=1S/C23H21NO5/c1-5-6-12-13-7-19-20(29-11-28-19)9-15(13)22-21(12)14-8-17(26-3)18(27-4)10-16(14)23(25)24(22)2/h6-10H,5,11H2,1-4H3/b12-6+.
What are the key properties of (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one?
(11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one has a molecular weight of 391.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-15,16-dimethoxy-20-methyl-11-propylidene-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one is sourced from PubChem (CID 58747642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).