5-(2-hydroxyethyl)-18-methyl-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

C23H17N3O3 — CID 5330746

IUPAC5-(2-hydroxyethyl)-18-methyl-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
SMILESCn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4c(c3c21)C(=O)NC4=O
InChIInChI=1S/C23H17N3O3/c1-26-9-7-12-5-6-14-16(21(12)26)18-17(22(28)25-23(18)29)15-13-4-2-3-11(8-10-27)19(13)24-20(14)15/h2-7,9,24,27H,8,10H2,1H3,(H,25,28,29)
InChIKeyYTULSWGTQZHYAW-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.38
Rot. Bonds2

About 5-(2-hydroxyethyl)-18-methyl-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

5-(2-hydroxyethyl)-18-methyl-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 5330746) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-18-methyl-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 Name5-(2-hydroxyethyl)-18-methyl-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 CID5330746
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name5-(2-hydroxyethyl)-18-methyl-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
SMILESCn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4c(c3c21)C(=O)NC4=O
InChIInChI=1S/C23H17N3O3/c1-26-9-7-12-5-6-14-16(21(12)26)18-17(22(28)25-23(18)29)15-13-4-2-3-11(8-10-27)19(13)24-20(14)15/h2-7,9,24,27H,8,10H2,1H3,(H,25,28,29)
InChIKeyYTULSWGTQZHYAW-UHFFFAOYSA-N
XLogP3.38
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxyethyl)-18-methyl-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 5-(2-hydroxyethyl)-18-methyl-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 5-(2-hydroxyethyl)-18-methyl-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 5330746) is 5-(2-hydroxyethyl)-18-methyl-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 5-(2-hydroxyethyl)-18-methyl-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 5-(2-hydroxyethyl)-18-methyl-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 Cn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4c(c3c21)C(=O)NC4=O.
What is the InChIKey of 5-(2-hydroxyethyl)-18-methyl-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 YTULSWGTQZHYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-26-9-7-12-5-6-14-16(21(12)26)18-17(22(28)25-23(18)29)15-13-4-2-3-11(8-10-27)19(13)24-20(14)15/h2-7,9,24,27H,8,10H2,1H3,(H,25,28,29).
What are the key properties of 5-(2-hydroxyethyl)-18-methyl-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?
5-(2-hydroxyethyl)-18-methyl-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 383.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-18-methyl-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 5330746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).