15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione

C21H12N2O3 — CID 46231289

IUPAC15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
SMILESO=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
InChIKeyKIPCUWCLMUBIQX-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.60
Rot. Bonds1

About 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione

15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione (PubChem CID 46231289) has the molecular formula C21H12N2O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione.

Molecular Properties

Compound Name15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
PubChem CID46231289
Molecular FormulaC21H12N2O3
Molecular Weight340.34 g/mol
Exact Mass340.08
IUPAC Name15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
SMILESO=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
InChIKeyKIPCUWCLMUBIQX-UHFFFAOYSA-N
XLogP3.60
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

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Related Compounds

3-oxo-N-phenyl-3H-benzo[f]chromene-2-carboxamide
CID 3123858
15-Cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
CID 70676625
2-imino-N-(naphthalen-1-yl)-2H-chromene-3-carboxamide
CID 395954
4-Amino-5-(3-ethylphenyl)-6,8-dioxo-9-oxa-5-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),3,11,13,15,17-heptaene-3-carbonitrile
CID 57379330
15-Benzyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
CID 70676626
4-Amino-5-(2-ethylphenyl)-6,8-dioxo-9-oxa-5-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),3,11,13,15,17-heptaene-3-carbonitrile
CID 171355631
3-imino-N-phenyl-3H-benzo[f]chromene-2-carboxamide
CID 747785
(3Z)-N-acetyl-3-[(4-methylphenyl)imino]-3H-benzo[f]chromene-2-carboxamide
CID 1020917
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-3H-benzo[f]chromene-2-carboxamide
CID 997821
N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
CID 997836
N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
CID 1020895
(3Z)-N-acetyl-3-[(4-fluorophenyl)imino]-3H-benzo[f]chromene-2-carboxamide
CID 3263568

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The IUPAC name of 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione (CID 46231289) is 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione.
What is the SMILES notation for 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The canonical SMILES for 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione is O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1-c1ccccc1.
What is the InChIKey of 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The InChIKey is KIPCUWCLMUBIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H.
What are the key properties of 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione has a molecular weight of 340.34 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione is sourced from PubChem (CID 46231289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).