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

C22H15N3O3 — CID 5330751

IUPAC22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione
SMILESCOc1cc2c3[nH]c4ccccc4c3c3c(c2c2c1ccn2C)C(=O)NC3=O
InChIInChI=1S/C22H15N3O3/c1-25-8-7-11-14(28-2)9-12-16(20(11)25)18-17(21(26)24-22(18)27)15-10-5-3-4-6-13(10)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27)
InChIKeyAYOCKYMYJCCYAP-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.86
Rot. Bonds1

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

22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione (PubChem CID 5330751) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione
PubChem CID5330751
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione
SMILESCOc1cc2c3[nH]c4ccccc4c3c3c(c2c2c1ccn2C)C(=O)NC3=O
InChIInChI=1S/C22H15N3O3/c1-25-8-7-11-14(28-2)9-12-16(20(11)25)18-17(21(26)24-22(18)27)15-10-5-3-4-6-13(10)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27)
InChIKeyAYOCKYMYJCCYAP-UHFFFAOYSA-N
XLogP3.86
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione?
The IUPAC name of 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione (CID 5330751) is 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione.
What is the SMILES notation for 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione?
The canonical SMILES for 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione is COc1cc2c3[nH]c4ccccc4c3c3c(c2c2c1ccn2C)C(=O)NC3=O.
What is the InChIKey of 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione?
The InChIKey is AYOCKYMYJCCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-25-8-7-11-14(28-2)9-12-16(20(11)25)18-17(21(26)24-22(18)27)15-10-5-3-4-6-13(10)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27).
What are the key properties of 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione?
22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione has a molecular weight of 369.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(23),2(10),4,6,8,11(15),16,19,21-nonaene-12,14-dione is sourced from PubChem (CID 5330751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).