14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione

C21H15NO6 — CID 134997880

IUPAC14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione
SMILESCN1C(=O)C2C3Oc4ccccc4OC3=C3Oc4ccccc4OC3C2C1=O
InChIInChI=1S/C21H15NO6/c1-22-20(23)14-15(21(22)24)17-19(28-13-9-5-3-7-11(13)26-17)18-16(14)25-10-6-2-4-8-12(10)27-18/h2-9,14-17H,1H3
InChIKeySKUNWDRWPHWVNU-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.12
Rot. Bonds

About 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione

14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione (PubChem CID 134997880) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione.

Molecular Properties

Compound Name14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione
PubChem CID134997880
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione
SMILESCN1C(=O)C2C3Oc4ccccc4OC3=C3Oc4ccccc4OC3C2C1=O
InChIInChI=1S/C21H15NO6/c1-22-20(23)14-15(21(22)24)17-19(28-13-9-5-3-7-11(13)26-17)18-16(14)25-10-6-2-4-8-12(10)27-18/h2-9,14-17H,1H3
InChIKeySKUNWDRWPHWVNU-UHFFFAOYSA-N
XLogP2.12
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione?
The IUPAC name of 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione (CID 134997880) is 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione.
What is the SMILES notation for 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione?
The canonical SMILES for 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione is CN1C(=O)C2C3Oc4ccccc4OC3=C3Oc4ccccc4OC3C2C1=O.
What is the InChIKey of 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione?
The InChIKey is SKUNWDRWPHWVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO6/c1-22-20(23)14-15(21(22)24)17-19(28-13-9-5-3-7-11(13)26-17)18-16(14)25-10-6-2-4-8-12(10)27-18/h2-9,14-17H,1H3.
What are the key properties of 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione?
14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione has a molecular weight of 377.35 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-3,10,18,25-tetraoxa-14-azahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1,4,6,8,19,21,23-heptaene-13,15-dione is sourced from PubChem (CID 134997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).