5-(3-hydroxypropyl)-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

C24H19N3O3 — CID 5330747

IUPAC5-(3-hydroxypropyl)-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(CCCO)cccc5c4c4c(c3c21)C(=O)NC4=O
InChIInChI=1S/C24H19N3O3/c1-27-10-9-13-7-8-15-17(22(13)27)19-18(23(29)26-24(19)30)16-14-6-2-4-12(5-3-11-28)20(14)25-21(15)16/h2,4,6-10,25,28H,3,5,11H2,1H3,(H,26,29,30)
InChIKeyWVUGROOBOZUWNU-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.77
Rot. Bonds3

About 5-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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 5330747) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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 CID5330747
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name5-(3-hydroxypropyl)-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(CCCO)cccc5c4c4c(c3c21)C(=O)NC4=O
InChIInChI=1S/C24H19N3O3/c1-27-10-9-13-7-8-15-17(22(13)27)19-18(23(29)26-24(19)30)16-14-6-2-4-12(5-3-11-28)20(14)25-21(15)16/h2,4,6-10,25,28H,3,5,11H2,1H3,(H,26,29,30)
InChIKeyWVUGROOBOZUWNU-UHFFFAOYSA-N
XLogP3.77
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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 5330747) is 5-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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(CCCO)cccc5c4c4c(c3c21)C(=O)NC4=O.
What is the InChIKey of 5-(3-hydroxypropyl)-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 WVUGROOBOZUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-27-10-9-13-7-8-15-17(22(13)27)19-18(23(29)26-24(19)30)16-14-6-2-4-12(5-3-11-28)20(14)25-21(15)16/h2,4,6-10,25,28H,3,5,11H2,1H3,(H,26,29,30).
What are the key properties of 5-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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 397.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-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 5330747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).