11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione

C23H19N3O2 — CID 50941933

IUPAC11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione
SMILESCCn1c(=O)c2ccccc2c2cc3c4ccccc4c(=O)n(CC)c3nc21
InChIInChI=1S/C23H19N3O2/c1-3-25-20-18(14-9-5-7-11-16(14)22(25)27)13-19-15-10-6-8-12-17(15)23(28)26(4-2)21(19)24-20/h5-13H,3-4H2,1-2H3
InChIKeyAWTWUFJJBKWAEM-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.06
Rot. Bonds2

About 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione

11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione (PubChem CID 50941933) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione.

Molecular Properties

Compound Name11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione
PubChem CID50941933
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione
SMILESCCn1c(=O)c2ccccc2c2cc3c4ccccc4c(=O)n(CC)c3nc21
InChIInChI=1S/C23H19N3O2/c1-3-25-20-18(14-9-5-7-11-16(14)22(25)27)13-19-15-10-6-8-12-17(15)23(28)26(4-2)21(19)24-20/h5-13H,3-4H2,1-2H3
InChIKeyAWTWUFJJBKWAEM-UHFFFAOYSA-N
XLogP4.06
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione with MolForge

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Related Compounds

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CID 70613500
3-ethyl-2-phenylquinazolin-4-one
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3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione
CID 134998755
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944395
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
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CID 6941034

Frequently Asked Questions

What is the IUPAC name of 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione?
The IUPAC name of 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione (CID 50941933) is 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione.
What is the SMILES notation for 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione?
The canonical SMILES for 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione is CCn1c(=O)c2ccccc2c2cc3c4ccccc4c(=O)n(CC)c3nc21.
What is the InChIKey of 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione?
The InChIKey is AWTWUFJJBKWAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-3-25-20-18(14-9-5-7-11-16(14)22(25)27)13-19-15-10-6-8-12-17(15)23(28)26(4-2)21(19)24-20/h5-13H,3-4H2,1-2H3.
What are the key properties of 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione?
11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione has a molecular weight of 369.42 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione is sourced from PubChem (CID 50941933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).