11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one

C20H17NO5 — CID 23583026

IUPAC11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one
SMILESCN1CCc2cc3c(c4c2C(Cc2ccc5c(c2-4)OCO5)C1=O)OCO3
InChIInChI=1S/C20H17NO5/c1-21-5-4-11-7-14-19(26-9-24-14)17-15(11)12(20(21)22)6-10-2-3-13-18(16(10)17)25-8-23-13/h2-3,7,12H,4-6,8-9H2,1H3
InChIKeyXBBSDQQPUAIMEE-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.47
Rot. Bonds

About 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one

11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one (PubChem CID 23583026) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one.

Molecular Properties

Compound Name11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one
PubChem CID23583026
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one
SMILESCN1CCc2cc3c(c4c2C(Cc2ccc5c(c2-4)OCO5)C1=O)OCO3
InChIInChI=1S/C20H17NO5/c1-21-5-4-11-7-14-19(26-9-24-14)17-15(11)12(20(21)22)6-10-2-3-13-18(16(10)17)25-8-23-13/h2-3,7,12H,4-6,8-9H2,1H3
InChIKeyXBBSDQQPUAIMEE-UHFFFAOYSA-N
XLogP2.47
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-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

[(12R)-17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl]-[(12R)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl]methanone
CID 162984677
(17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl)-(4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl)methanone
CID 162984676
(12R)-17-methoxy-11,18-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
CID 163018059
17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
CID 9276
13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[12.10.0.02,10.04,8.015,23.018,22]tetracosa-2,4(8),9,15(23),16,18(22)-hexaen-24-one
CID 163089169
(12S)-17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene-11-carbaldehyde
CID 15286731
(12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol;hydrochloride
CID 155923225
(12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-16,17-diol
CID 162817836
ethyl 4-(6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-4-yl)benzoate
CID 102280851
15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene
CID 15765609
(5R,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 10948569
6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
CID 162812198

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one?
The IUPAC name of 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one (CID 23583026) is 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one.
What is the SMILES notation for 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one?
The canonical SMILES for 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one is CN1CCc2cc3c(c4c2C(Cc2ccc5c(c2-4)OCO5)C1=O)OCO3.
What is the InChIKey of 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one?
The InChIKey is XBBSDQQPUAIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-21-5-4-11-7-14-19(26-9-24-14)17-15(11)12(20(21)22)6-10-2-3-13-18(16(10)17)25-8-23-13/h2-3,7,12H,4-6,8-9H2,1H3.
What are the key properties of 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one?
11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one has a molecular weight of 351.36 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3,5,19,21-tetraoxa-11-azahexacyclo[11.10.1.02,6.08,24.015,23.018,22]tetracosa-1(24),2(6),7,15(23),16,18(22)-hexaen-12-one is sourced from PubChem (CID 23583026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).