15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione

C21H14N2O4 — CID 11840825

IUPAC15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C21H14N2O4/c1-11-22-19(24)17-15(12-7-3-2-4-8-12)16-18(27-20(17)23-11)13-9-5-6-10-14(13)26-21(16)25/h2-10,15H,1H3,(H,22,23,24)
InChIKeyHVJNWNRFFHABDU-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.47
Rot. Bonds1

About 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione

15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione (PubChem CID 11840825) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione.

Molecular Properties

Compound Name15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
PubChem CID11840825
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C21H14N2O4/c1-11-22-19(24)17-15(12-7-3-2-4-8-12)16-18(27-20(17)23-11)13-9-5-6-10-14(13)26-21(16)25/h2-10,15H,1H3,(H,22,23,24)
InChIKeyHVJNWNRFFHABDU-UHFFFAOYSA-N
XLogP3.47
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione?
The IUPAC name of 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione (CID 11840825) is 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione.
What is the SMILES notation for 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione?
The canonical SMILES for 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione is Cc1nc2c(c(=O)[nH]1)C(c1ccccc1)c1c(c3ccccc3oc1=O)O2.
What is the InChIKey of 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione?
The InChIKey is HVJNWNRFFHABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c1-11-22-19(24)17-15(12-7-3-2-4-8-12)16-18(27-20(17)23-11)13-9-5-6-10-14(13)26-21(16)25/h2-10,15H,1H3,(H,22,23,24).
What are the key properties of 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione?
15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione has a molecular weight of 358.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione is sourced from PubChem (CID 11840825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).