11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H10N6O2 — CID 56737861

IUPAC11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCOc1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1
InChIInChI=1S/C14H10N6O2/c1-22-10-4-2-3-9(7-10)19-6-5-11-12(13(19)21)17-18-14-15-8-16-20(11)14/h2-8H,1H3
InChIKeyLMHNRJKNTSGSGX-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.83
Rot. Bonds2

About 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 56737861) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID56737861
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCOc1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1
InChIInChI=1S/C14H10N6O2/c1-22-10-4-2-3-9(7-10)19-6-5-11-12(13(19)21)17-18-14-15-8-16-20(11)14/h2-8H,1H3
InChIKeyLMHNRJKNTSGSGX-UHFFFAOYSA-N
XLogP0.83
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

5-(4-bromophenyl)-11-(3-methoxyphenyl)-4-methyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 39343394
11-(3,5-dimethoxyphenyl)-4-methyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66501472
11-(3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 30469409
11-(4-oxo-1H-pyridin-3-yl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66505742
11-(3-fluorophenyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496450
11-(3-chlorophenyl)-4-ethyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56919904
4-ethyl-5-(4-methoxyphenyl)-11-[3-(trifluoromethoxy)phenyl]-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 29139115
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
11-(3-methoxyphenyl)-8-methyl-4-methylsulfanyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496344
N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
CID 66505689
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
4-methylsulfanyl-11-(3-nitrophenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66498962

Frequently Asked Questions

What is the IUPAC name of 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 56737861) is 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is COc1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1.
What is the InChIKey of 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is LMHNRJKNTSGSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c1-22-10-4-2-3-9(7-10)19-6-5-11-12(13(19)21)17-18-14-15-8-16-20(11)14/h2-8H,1H3.
What are the key properties of 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 294.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methoxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 56737861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).