16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione

C23H24N2O7 — CID 162974797

IUPAC16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
SMILESCOc1ccc2c(c1O)N1C(=O)C=C3OCC4OC45CN(C)CCC24C(=O)CC5(O)C3C14
InChIInChI=1S/C23H24N2O7/c1-24-6-5-21-11-3-4-12(30-2)19(28)18(11)25-16(27)7-13-17(20(21)25)22(29,8-14(21)26)23(10-24)15(32-23)9-31-13/h3-4,7,15,17,20,28-29H,5-6,8-10H2,1-2H3
InChIKeyLNUMWHDLOYWNQE-UHFFFAOYSA-N
MW440.45 g/mol
LogP0.07
Rot. Bonds1

About 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione

16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione (PubChem CID 162974797) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione.

Molecular Properties

Compound Name16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
PubChem CID162974797
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
SMILESCOc1ccc2c(c1O)N1C(=O)C=C3OCC4OC45CN(C)CCC24C(=O)CC5(O)C3C14
InChIInChI=1S/C23H24N2O7/c1-24-6-5-21-11-3-4-12(30-2)19(28)18(11)25-16(27)7-13-17(20(21)25)22(29,8-14(21)26)23(10-24)15(32-23)9-31-13/h3-4,7,15,17,20,28-29H,5-6,8-10H2,1-2H3
InChIKeyLNUMWHDLOYWNQE-UHFFFAOYSA-N
XLogP0.07
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-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

(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
(1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-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 162940582
(1S,9S,10R,13R,14S,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5-trien-19-one
CID 162993815
(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,3'S,9R,11R,18S)-8-acetyl-6-hydroxy-5-methoxy-3',14-dimethylspiro[8,14-diazatetracyclo[9.5.2.01,9.02,7]octadeca-2(7),3,5-triene-18,2'-oxirane]-17-one
CID 162865710
3-hydroxy-4-methoxy-14-methyl-14-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2(7),3,5,8,10-pentaen-12-one
CID 74941880
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
(1'R,9'R)-4'-methoxy-4,17'-dimethylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3',10'-diol
CID 146363416
(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
CID 821366
(1R,9S,10R)-3,12-dihydroxy-4,11-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 101277387
(1R,8R,9R)-3-hydroxy-4,8,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 46928140
(1R,9S,10R,12S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 10359352

Frequently Asked Questions

What is the IUPAC name of 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The IUPAC name of 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione (CID 162974797) is 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione.
What is the SMILES notation for 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The canonical SMILES for 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione is COc1ccc2c(c1O)N1C(=O)C=C3OCC4OC45CN(C)CCC24C(=O)CC5(O)C3C14.
What is the InChIKey of 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The InChIKey is LNUMWHDLOYWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-24-6-5-21-11-3-4-12(30-2)19(28)18(11)25-16(27)7-13-17(20(21)25)22(29,8-14(21)26)23(10-24)15(32-23)9-31-13/h3-4,7,15,17,20,28-29H,5-6,8-10H2,1-2H3.
What are the key properties of 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione has a molecular weight of 440.45 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione is sourced from PubChem (CID 162974797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).