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

C24H19N3O3 — CID 137393235

IUPAC3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(CCO)C3=O
InChIInChI=1S/C24H19N3O3/c1-2-26-16-10-6-4-8-14(16)18-20-19(23(29)27(11-12-28)24(20)30)17-13-7-3-5-9-15(13)25-21(17)22(18)26/h3-10,25,28H,2,11-12H2,1H3
InChIKeyQZMYUQAIVAXXID-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.04
Rot. Bonds3

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

3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 137393235) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
PubChem CID137393235
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(CCO)C3=O
InChIInChI=1S/C24H19N3O3/c1-2-26-16-10-6-4-8-14(16)18-20-19(23(29)27(11-12-28)24(20)30)17-13-7-3-5-9-15(13)25-21(17)22(18)26/h3-10,25,28H,2,11-12H2,1H3
InChIKeyQZMYUQAIVAXXID-UHFFFAOYSA-N
XLogP4.04
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (CID 137393235) is 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(CCO)C3=O.
What is the InChIKey of 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is QZMYUQAIVAXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-2-26-16-10-6-4-8-14(16)18-20-19(23(29)27(11-12-28)24(20)30)17-13-7-3-5-9-15(13)25-21(17)22(18)26/h3-10,25,28H,2,11-12H2,1H3.
What are the key properties of 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 397.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-13-(2-hydroxyethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 137393235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).