3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione

C23H17N3O2 — CID 5330760

IUPAC3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(C)c4c12)C(=O)NC3=O
InChIInChI=1S/C23H17N3O2/c1-11-10-12-8-9-25(2)20(12)17-15(11)21-16(18-19(17)23(28)24-22(18)27)13-6-4-5-7-14(13)26(21)3/h4-10H,1-3H3,(H,24,27,28)
InChIKeyQTGXVJOZQRRBAU-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.17
Rot. Bonds

About 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione

3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione (PubChem CID 5330760) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione.

Molecular Properties

Compound Name3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione
PubChem CID5330760
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(C)c4c12)C(=O)NC3=O
InChIInChI=1S/C23H17N3O2/c1-11-10-12-8-9-25(2)20(12)17-15(11)21-16(18-19(17)23(28)24-22(18)27)13-6-4-5-7-14(13)26(21)3/h4-10H,1-3H3,(H,24,27,28)
InChIKeyQTGXVJOZQRRBAU-UHFFFAOYSA-N
XLogP4.17
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione?
The IUPAC name of 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione (CID 5330760) is 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione.
What is the SMILES notation for 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione?
The canonical SMILES for 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione is Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(C)c4c12)C(=O)NC3=O.
What is the InChIKey of 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione?
The InChIKey is QTGXVJOZQRRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-11-10-12-8-9-25(2)20(12)17-15(11)21-16(18-19(17)23(28)24-22(18)27)13-6-4-5-7-14(13)26(21)3/h4-10H,1-3H3,(H,24,27,28).
What are the key properties of 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione?
3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione has a molecular weight of 367.41 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,18,23-trimethyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione is sourced from PubChem (CID 5330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).