11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one

C21H13N3O3 — CID 71722413

IUPAC11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
SMILESO=c1c2ccccc2nc2c3cc4c(cc3n(-c3ccccc3)n12)OCO4
InChIInChI=1S/C21H13N3O3/c25-21-14-8-4-5-9-16(14)22-20-15-10-18-19(27-12-26-18)11-17(15)23(24(20)21)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyAWEZHFJJRMNENG-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.52
Rot. Bonds1

About 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one

11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one (PubChem CID 71722413) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one.

Molecular Properties

Compound Name11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
PubChem CID71722413
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
SMILESO=c1c2ccccc2nc2c3cc4c(cc3n(-c3ccccc3)n12)OCO4
InChIInChI=1S/C21H13N3O3/c25-21-14-8-4-5-9-16(14)22-20-15-10-18-19(27-12-26-18)11-17(15)23(24(20)21)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyAWEZHFJJRMNENG-UHFFFAOYSA-N
XLogP3.52
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one with MolForge

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Related Compounds

5-phenylindazolo[3,2-b]quinazolin-7-one
CID 57338719
10-chloro-5-phenylquinazolino[3,2-b]cinnoline-7,13-dione
CID 132500625
9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 86304179
5-tert-butylimino-6-phenylquinazolino[2,3-a]phthalazin-8-one
CID 102100633
8-methyl-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 102226681
3-(1,3-benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
CID 3135733
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 3096423
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-butylquinazolin-4-one
CID 118734930
5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 118719515
6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
CID 102098309
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-ethylquinazolin-4-one
CID 7559050

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one?
The IUPAC name of 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one (CID 71722413) is 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one.
What is the SMILES notation for 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one?
The canonical SMILES for 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one is O=c1c2ccccc2nc2c3cc4c(cc3n(-c3ccccc3)n12)OCO4.
What is the InChIKey of 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one?
The InChIKey is AWEZHFJJRMNENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c25-21-14-8-4-5-9-16(14)22-20-15-10-18-19(27-12-26-18)11-17(15)23(24(20)21)13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one?
11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one has a molecular weight of 355.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one is sourced from PubChem (CID 71722413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).