14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione

C24H14N2O3 — CID 101192267

IUPAC14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione
SMILESCn1c(=O)cc2c3c(c4[nH]c5ccccc5c(=O)c4cc31)C(=O)c1ccccc1-2
InChIInChI=1S/C24H14N2O3/c1-26-18-10-16-22(25-17-9-5-4-8-14(17)23(16)28)21-20(18)15(11-19(26)27)12-6-2-3-7-13(12)24(21)29/h2-11H,1H3,(H,25,28)
InChIKeyGVOROAUHIACMKW-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.74
Rot. Bonds

About 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione

14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione (PubChem CID 101192267) has the molecular formula C24H14N2O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione.

Molecular Properties

Compound Name14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione
PubChem CID101192267
Molecular FormulaC24H14N2O3
Molecular Weight378.39 g/mol
Exact Mass378.10
IUPAC Name14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione
SMILESCn1c(=O)cc2c3c(c4[nH]c5ccccc5c(=O)c4cc31)C(=O)c1ccccc1-2
InChIInChI=1S/C24H14N2O3/c1-26-18-10-16-22(25-17-9-5-4-8-14(17)23(16)28)21-20(18)15(11-19(26)27)12-6-2-3-7-13(12)24(21)29/h2-11H,1H3,(H,25,28)
InChIKeyGVOROAUHIACMKW-UHFFFAOYSA-N
XLogP3.74
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione?
The IUPAC name of 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione (CID 101192267) is 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione.
What is the SMILES notation for 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione?
The canonical SMILES for 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione is Cn1c(=O)cc2c3c(c4[nH]c5ccccc5c(=O)c4cc31)C(=O)c1ccccc1-2.
What is the InChIKey of 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione?
The InChIKey is GVOROAUHIACMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O3/c1-26-18-10-16-22(25-17-9-5-4-8-14(17)23(16)28)21-20(18)15(11-19(26)27)12-6-2-3-7-13(12)24(21)29/h2-11H,1H3,(H,25,28).
What are the key properties of 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione?
14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione has a molecular weight of 378.39 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-3,14-diazahexacyclo[11.11.1.02,11.04,9.017,25.018,23]pentacosa-1,4,6,8,11,13(25),16,18,20,22-decaene-10,15,24-trione is sourced from PubChem (CID 101192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).