10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one

C20H14N2O5 — CID 177473990

IUPAC10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one
SMILESCOc1c2occc2c(OC)c2c1oc(=O)c1cnn(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O5/c1-24-16-12-8-9-26-17(12)19(25-2)18-14(16)15-13(20(23)27-18)10-21-22(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDINSBFKRTGALNC-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.90
Rot. Bonds3

About 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one

10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one (PubChem CID 177473990) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one.

Molecular Properties

Compound Name10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one
PubChem CID177473990
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one
SMILESCOc1c2occc2c(OC)c2c1oc(=O)c1cnn(-c3ccccc3)c12
InChIInChI=1S/C20H14N2O5/c1-24-16-12-8-9-26-17(12)19(25-2)18-14(16)15-13(20(23)27-18)10-21-22(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDINSBFKRTGALNC-UHFFFAOYSA-N
XLogP3.90
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one?
The IUPAC name of 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one (CID 177473990) is 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one.
What is the SMILES notation for 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one?
The canonical SMILES for 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one is COc1c2occc2c(OC)c2c1oc(=O)c1cnn(-c3ccccc3)c12.
What is the InChIKey of 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one?
The InChIKey is DINSBFKRTGALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c1-24-16-12-8-9-26-17(12)19(25-2)18-14(16)15-13(20(23)27-18)10-21-22(15)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one?
10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one has a molecular weight of 362.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one is sourced from PubChem (CID 177473990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).