10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione

C21H13NO6 — CID 11100838

IUPAC10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione
SMILESCOc1cc2oc(=O)cc(C)c2c2c1[nH]c(=O)c1c3ccccc3c(=O)oc12
InChIInChI=1S/C21H13NO6/c1-9-7-14(23)27-12-8-13(26-2)18-17(15(9)12)19-16(20(24)22-18)10-5-3-4-6-11(10)21(25)28-19/h3-8H,1-2H3,(H,22,24)
InChIKeyQCASCZRBYHDKGO-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.21
Rot. Bonds1

About 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione

10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione (PubChem CID 11100838) has the molecular formula C21H13NO6 and a molecular weight of 375.34 g/mol. Its IUPAC name is 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione.

Molecular Properties

Compound Name10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione
PubChem CID11100838
Molecular FormulaC21H13NO6
Molecular Weight375.34 g/mol
Exact Mass375.07
IUPAC Name10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione
SMILESCOc1cc2oc(=O)cc(C)c2c2c1[nH]c(=O)c1c3ccccc3c(=O)oc12
InChIInChI=1S/C21H13NO6/c1-9-7-14(23)27-12-8-13(26-2)18-17(15(9)12)19-16(20(24)22-18)10-5-3-4-6-11(10)21(25)28-19/h3-8H,1-2H3,(H,22,24)
InChIKeyQCASCZRBYHDKGO-UHFFFAOYSA-N
XLogP3.21
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione?
The IUPAC name of 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione (CID 11100838) is 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione.
What is the SMILES notation for 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione?
The canonical SMILES for 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione is COc1cc2oc(=O)cc(C)c2c2c1[nH]c(=O)c1c3ccccc3c(=O)oc12.
What is the InChIKey of 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione?
The InChIKey is QCASCZRBYHDKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO6/c1-9-7-14(23)27-12-8-13(26-2)18-17(15(9)12)19-16(20(24)22-18)10-5-3-4-6-11(10)21(25)28-19/h3-8H,1-2H3,(H,22,24).
What are the key properties of 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione?
10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione has a molecular weight of 375.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione is sourced from PubChem (CID 11100838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).