(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione

C24H19NO6 — CID 11625865

IUPAC(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione
SMILESCOc1cc2c(c3[nH]c4c(ccc5ccccc54)c(=O)c13)[C@H]1OC(=O)O[C@H]1C(C)(C)O2
InChIInChI=1S/C24H19NO6/c1-24(2)22-21(29-23(27)30-22)17-15(31-24)10-14(28-3)16-19(17)25-18-12-7-5-4-6-11(12)8-9-13(18)20(16)26/h4-10,21-22H,1-3H3,(H,25,26)/t21-,22-/m1/s1
InChIKeyXIELCAGGMBKXND-FGZHOGPDSA-N
MW417.42 g/mol
LogP4.59
Rot. Bonds1

About (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione

(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione (PubChem CID 11625865) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione.

Molecular Properties

Compound Name(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione
PubChem CID11625865
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione
SMILESCOc1cc2c(c3[nH]c4c(ccc5ccccc54)c(=O)c13)[C@H]1OC(=O)O[C@H]1C(C)(C)O2
InChIInChI=1S/C24H19NO6/c1-24(2)22-21(29-23(27)30-22)17-15(31-24)10-14(28-3)16-19(17)25-18-12-7-5-4-6-11(12)8-9-13(18)20(16)26/h4-10,21-22H,1-3H3,(H,25,26)/t21-,22-/m1/s1
InChIKeyXIELCAGGMBKXND-FGZHOGPDSA-N
XLogP4.59
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione 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

(3S,7S)-12-methoxy-8,8,21-trimethyl-5-sulfanylidene-4,6,9-trioxa-21-azapentacyclo[11.8.0.02,10.03,7.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
CID 100974618
5,6-diamino-11-methoxy-2,7,7-trimethyl-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
CID 22064527
5-amino-6-hydroxy-11-methoxy-2,7,7-trimethyl-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
CID 22064540
1,2-dihydroxy-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 21125486
[(5R,6R)-6-formyloxy-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3,9,11,15,17,19,21-octaen-5-yl] formate
CID 45267921
[(5S,6S)-6-acetyloxy-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-5-yl] acetate
CID 20684516
(5-acetyloxy-11-methoxy-7,7-dimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-6-yl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 11635791
(5-hydroxy-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-6-yl) butanoate
CID 22064511
(1R,2S)-1-hydroxy-2-iodo-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 100974610
[(5R,6R)-5-hydroxy-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-6-yl] benzoate
CID 10697005
[(5S,6S)-11-methoxy-2,7,7-trimethyl-6-(4-methylphenyl)sulfonyloxy-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-5-yl] 4-methylbenzenesulfonate
CID 87798198
[(5R,6R)-6-[di(propan-2-yl)carbamoyloxy]-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-5-yl] N,N-di(propan-2-yl)carbamate
CID 11181375

Frequently Asked Questions

What is the IUPAC name of (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione?
The IUPAC name of (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione (CID 11625865) is (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione.
What is the SMILES notation for (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione?
The canonical SMILES for (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione is COc1cc2c(c3[nH]c4c(ccc5ccccc54)c(=O)c13)[C@H]1OC(=O)O[C@H]1C(C)(C)O2.
What is the InChIKey of (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione?
The InChIKey is XIELCAGGMBKXND-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H19NO6/c1-24(2)22-21(29-23(27)30-22)17-15(31-24)10-14(28-3)16-19(17)25-18-12-7-5-4-6-11(12)8-9-13(18)20(16)26/h4-10,21-22H,1-3H3,(H,25,26)/t21-,22-/m1/s1.
What are the key properties of (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione?
(20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione has a molecular weight of 417.42 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (20R,24R)-15-methoxy-19,19-dimethyl-18,21,23-trioxa-2-azahexacyclo[12.11.0.03,12.04,9.017,25.020,24]pentacosa-1(25),3(12),4,6,8,10,14,16-octaene-13,22-dione is sourced from PubChem (CID 11625865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).