23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione

C22H24N2O5 — CID 633892

IUPAC23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
SMILESCN1CCC23C(=O)CC4(O)C5C(CC(=O)N(c6ccccc62)C53)OCC2OC24C1
InChIInChI=1S/C22H24N2O5/c1-23-7-6-20-12-4-2-3-5-13(12)24-17(26)8-14-18(19(20)24)21(27,9-15(20)25)22(11-23)16(29-22)10-28-14/h2-5,14,16,18-19,27H,6-11H2,1H3
InChIKeyLFRUIFVGLYORRJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP0.24
Rot. Bonds

About 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione

23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione (PubChem CID 633892) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione.

Molecular Properties

Compound Name23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
PubChem CID633892
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
SMILESCN1CCC23C(=O)CC4(O)C5C(CC(=O)N(c6ccccc62)C53)OCC2OC24C1
InChIInChI=1S/C22H24N2O5/c1-23-7-6-20-12-4-2-3-5-13(12)24-17(26)8-14-18(19(20)24)21(27,9-15(20)25)22(11-23)16(29-22)10-28-14/h2-5,14,16,18-19,27H,6-11H2,1H3
InChIKeyLFRUIFVGLYORRJ-UHFFFAOYSA-N
XLogP0.24
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione with MolForge

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Related Compounds

(1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 163082806
(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 163012788
(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 162932556
12,20-dioxo-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-4-carbonitrile
CID 162933097
(4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-4a,5,8,13a,15,15a,15b,16-octahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-7,14-dione
CID 57412269
(9S,10R,11R,12Z)-8-ethyl-12-ethylidene-10-(hydroxymethyl)-14-methyl-8,14-diazatetracyclo[9.5.2.01,9.02,7]octadeca-2,4,6-trien-17-one
CID 100990107
(4aS,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 134814445
(4aS,5aS,8aS,13aR,15aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 162987396
1-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]piperidin-3-ol
CID 71689234
(1R,9R,10S)-10-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
CID 13145934
(1R,15E,22R)-12-oxa-8,18-diazaheptacyclo[16.5.2.01,19.02,7.08,23.011,22.016,21]pentacosa-2,4,6,15-tetraen-9-one
CID 59827878
(4aR,5aR,8aS,13aS,15aS,15bR)-6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
CID 98052646

Frequently Asked Questions

What is the IUPAC name of 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione?
The IUPAC name of 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione (CID 633892) is 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione.
What is the SMILES notation for 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione?
The canonical SMILES for 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione is CN1CCC23C(=O)CC4(O)C5C(CC(=O)N(c6ccccc62)C53)OCC2OC24C1.
What is the InChIKey of 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione?
The InChIKey is LFRUIFVGLYORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-23-7-6-20-12-4-2-3-5-13(12)24-17(26)8-14-18(19(20)24)21(27,9-15(20)25)22(11-23)16(29-22)10-28-14/h2-5,14,16,18-19,27H,6-11H2,1H3.
What are the key properties of 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione?
23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione has a molecular weight of 396.44 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione is sourced from PubChem (CID 633892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).