7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione

C24H32N6O4 — CID 91264885

IUPAC7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione
SMILESCOC1=C2CC(C=C1)/N=C\C1C(=O)Nc3ncnc(c31)N(C)CCN(C(C)C)C(=O)CCCO2
InChIInChI=1S/C24H32N6O4/c1-15(2)30-10-9-29(3)23-21-17(24(32)28-22(21)26-14-27-23)13-25-16-7-8-18(33-4)19(12-16)34-11-5-6-20(30)31/h7-8,13-17H,5-6,9-12H2,1-4H3,(H,26,27,28,32)/b25-13-
InChIKeyRBYXWSCJGBBRTF-MXAYSNPKSA-N
MW468.56 g/mol
LogP2.25
Rot. Bonds2

About 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione

7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione (PubChem CID 91264885) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione.

Molecular Properties

Compound Name7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione
PubChem CID91264885
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione
SMILESCOC1=C2CC(C=C1)/N=C\C1C(=O)Nc3ncnc(c31)N(C)CCN(C(C)C)C(=O)CCCO2
InChIInChI=1S/C24H32N6O4/c1-15(2)30-10-9-29(3)23-21-17(24(32)28-22(21)26-14-27-23)13-25-16-7-8-18(33-4)19(12-16)34-11-5-6-20(30)31/h7-8,13-17H,5-6,9-12H2,1-4H3,(H,26,27,28,32)/b25-13-
InChIKeyRBYXWSCJGBBRTF-MXAYSNPKSA-N
XLogP2.25
TPSA109.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione with MolForge

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Related Compounds

18-Methyl-1,3,5,7,11,18,23-heptazapentacyclo[21.2.2.12,6.112,16.09,29]nonacosa-2,4,6(29),10,13,15-hexaene-8,22-dione
CID 90948936
(4R)-7-chloro-19-methyl-9-oxa-3,16,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-2,5,7,20,22,24(27)-hexaene-15,26-dione
CID 91111346
(12R)-15-chloro-17-oxa-1,3,5,7,11,24-hexazapentacyclo[22.2.2.12,6.112,16.09,30]triaconta-2,4,6(30),10,13,15-hexaene-8,23-dione
CID 91319983

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione?
The IUPAC name of 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione (CID 91264885) is 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione.
What is the SMILES notation for 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione?
The canonical SMILES for 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione is COC1=C2CC(C=C1)/N=C\C1C(=O)Nc3ncnc(c31)N(C)CCN(C(C)C)C(=O)CCCO2.
What is the InChIKey of 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione?
The InChIKey is RBYXWSCJGBBRTF-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-15(2)30-10-9-29(3)23-21-17(24(32)28-22(21)26-14-27-23)13-25-16-7-8-18(33-4)19(12-16)34-11-5-6-20(30)31/h7-8,13-17H,5-6,9-12H2,1-4H3,(H,26,27,28,32)/b25-13-.
What are the key properties of 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione?
7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione has a molecular weight of 468.56 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-17-methyl-14-propan-2-yl-9-oxa-3,14,17,19,21,23-hexazatetracyclo[16.6.1.14,8.022,25]hexacosa-2,5,7,18,20,22(25)-hexaene-13,24-dione is sourced from PubChem (CID 91264885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).