(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone

C24H18N2O6 — CID 11729673

IUPAC(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone
SMILESCN1C(=O)C2C(C1=O)[C@H]1O[C@@H]2c2c1ccc1c3c(ccc21)[C@@H]1O[C@H]3C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C24H18N2O6/c1-25-21(27)13-15(23(25)29)19-11-7-4-6-10-12(8(7)3-5-9(11)17(13)31-19)20-16-14(18(10)32-20)22(28)26(2)24(16)30/h3-6,13-20H,1-2H3/t13?,14?,15?,16?,17-,18-,19+,20+/m0/s1
InChIKeyDVPJVSSPAGAUAZ-IDMXJFQASA-N
MW430.42 g/mol
LogP1.55
Rot. Bonds

About (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone

(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone (PubChem CID 11729673) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone.

Molecular Properties

Compound Name(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone
PubChem CID11729673
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone
SMILESCN1C(=O)C2C(C1=O)[C@H]1O[C@@H]2c2c1ccc1c3c(ccc21)[C@@H]1O[C@H]3C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C24H18N2O6/c1-25-21(27)13-15(23(25)29)19-11-7-4-6-10-12(8(7)3-5-9(11)17(13)31-19)20-16-14(18(10)32-20)22(28)26(2)24(16)30/h3-6,13-20H,1-2H3/t13?,14?,15?,16?,17-,18-,19+,20+/m0/s1
InChIKeyDVPJVSSPAGAUAZ-IDMXJFQASA-N
XLogP1.55
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone with MolForge

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Related Compounds

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CID 15535088
(1R,8S,9R,13S)-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 13802392
1-(4-Iodophenyl)-11-methyl-8-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 135018433
(1S,8S,9R,13S)-11-methyl-1-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972011
(1S,8S,9R,13S)-11-methyl-1-(2-methylphenyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972574
(1R,8S)-11-methyl-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138973650
(2R,3aR,4S,7R,7aS,9R,10aR, 11S,14R,14aS)-rel-3a,4,7,7a,10a,11,14,14a-Octahydro-4,14:7,11-diepoxy-2,9-propanonaphtho[1,2-f:5,6-f']diisoindole-1,3,8,10-tetrone
CID 139075235
(1S,7R,8S,12R,13S,19R,20S,24R)-1,7,13,19-tetrakis[tert-butyl(dimethyl)silyl]-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone
CID 139091182
chloroform;(1S,2R,4S,21S,23R,24S,25R,35R)-9,16-ditert-butyl-3,22-dioxa-27,33-diazaundecacyclo[31.2.1.124,27.02,6.04,35.05,14.07,12.011,20.013,18.019,23.021,25]heptatriaconta-5,7,9,11,13(18),14,16,19-octaene-26,34,36,37-tetrone
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2-Cyclohexyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione;2-cyclohexyl-5-methyl-6-(1-phenylpropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;styrene
CID 157614071
5-Methyl-2-octyl-6-(1-phenylpropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;2-octyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione;styrene
CID 160162016
Tris(2-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione);4-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene;10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;tricyclo[5.2.1.02,6]deca-3,8-diene;tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;tricyclo[6.2.1.02,7]undeca-2(7),4,9-triene-3,6-dione
CID 161165323

Frequently Asked Questions

What is the IUPAC name of (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone?
The IUPAC name of (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone (CID 11729673) is (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone.
What is the SMILES notation for (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone?
The canonical SMILES for (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone is CN1C(=O)C2C(C1=O)[C@H]1O[C@@H]2c2c1ccc1c3c(ccc21)[C@@H]1O[C@H]3C2C(=O)N(C)C(=O)C21.
What is the InChIKey of (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone?
The InChIKey is DVPJVSSPAGAUAZ-IDMXJFQASA-N. The full InChI is InChI=1S/C24H18N2O6/c1-25-21(27)13-15(23(25)29)19-11-7-4-6-10-12(8(7)3-5-9(11)17(13)31-19)20-16-14(18(10)32-20)22(28)26(2)24(16)30/h3-6,13-20H,1-2H3/t13?,14?,15?,16?,17-,18-,19+,20+/m0/s1.
What are the key properties of (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone?
(1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone has a molecular weight of 430.42 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,13S,19R)-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2(18),3(15),4,6(14),16-pentaene-9,11,21,23-tetrone is sourced from PubChem (CID 11729673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).