13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione

C21H12N2O4 — CID 10405956

IUPAC13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
SMILESCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O
InChIInChI=1S/C21H12N2O4/c1-23-20(24)15-14-10-6-2-3-7-11(10)22-17(14)19-18(16(15)21(23)25)26-12-8-4-5-9-13(12)27-19/h2-9,22H,1H3
InChIKeyUMFBSHOIEWBJOY-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.03
Rot. Bonds

About 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione

13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione (PubChem CID 10405956) has the molecular formula C21H12N2O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione.

Molecular Properties

Compound Name13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
PubChem CID10405956
Molecular FormulaC21H12N2O4
Molecular Weight356.34 g/mol
Exact Mass356.08
IUPAC Name13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
SMILESCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O
InChIInChI=1S/C21H12N2O4/c1-23-20(24)15-14-10-6-2-3-7-11(10)22-17(14)19-18(16(15)21(23)25)26-12-8-4-5-9-13(12)27-19/h2-9,22H,1H3
InChIKeyUMFBSHOIEWBJOY-UHFFFAOYSA-N
XLogP4.03
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The IUPAC name of 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione (CID 10405956) is 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione.
What is the SMILES notation for 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The canonical SMILES for 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione is Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O.
What is the InChIKey of 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The InChIKey is UMFBSHOIEWBJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O4/c1-23-20(24)15-14-10-6-2-3-7-11(10)22-17(14)19-18(16(15)21(23)25)26-12-8-4-5-9-13(12)27-19/h2-9,22H,1H3.
What are the key properties of 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione has a molecular weight of 356.34 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione is sourced from PubChem (CID 10405956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).