7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

C24H19N3O4 — CID 21216861

IUPAC7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCOc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(C)c35)C(=O)N(C)C4=O)c2c1
InChIInChI=1S/C24H19N3O4/c1-26-16-8-6-12(31-4)10-14(16)18-20-19(23(28)27(2)24(20)29)17-13-9-11(30-3)5-7-15(13)25-21(17)22(18)26/h5-10,25H,1-4H3
InChIKeyGUSLHKDSBBUTDD-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.21
Rot. Bonds2

About 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 21216861) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

Compound Name7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
PubChem CID21216861
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCOc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(C)c35)C(=O)N(C)C4=O)c2c1
InChIInChI=1S/C24H19N3O4/c1-26-16-8-6-12(31-4)10-14(16)18-20-19(23(28)27(2)24(20)29)17-13-9-11(30-3)5-7-15(13)25-21(17)22(18)26/h5-10,25H,1-4H3
InChIKeyGUSLHKDSBBUTDD-UHFFFAOYSA-N
XLogP4.21
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The IUPAC name of 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (CID 21216861) is 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
What is the SMILES notation for 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The canonical SMILES for 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(C)c35)C(=O)N(C)C4=O)c2c1.
What is the InChIKey of 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The InChIKey is GUSLHKDSBBUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-26-16-8-6-12(31-4)10-14(16)18-20-19(23(28)27(2)24(20)29)17-13-9-11(30-3)5-7-15(13)25-21(17)22(18)26/h5-10,25H,1-4H3.
What are the key properties of 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 413.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dimethoxy-3,13-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 21216861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).