8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

C15H11N5O2 — CID 135994379

IUPAC8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCOc1cccc(-c2c3c(=O)[nH]ccc3nc3ncnn23)c1
InChIInChI=1S/C15H11N5O2/c1-22-10-4-2-3-9(7-10)13-12-11(5-6-16-14(12)21)19-15-17-8-18-20(13)15/h2-8H,1H3,(H,16,21)
InChIKeyDPPJOMUVDNDNJG-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.64
Rot. Bonds2

About 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (PubChem CID 135994379) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
PubChem CID135994379
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCOc1cccc(-c2c3c(=O)[nH]ccc3nc3ncnn23)c1
InChIInChI=1S/C15H11N5O2/c1-22-10-4-2-3-9(7-10)13-12-11(5-6-16-14(12)21)19-15-17-8-18-20(13)15/h2-8H,1H3,(H,16,21)
InChIKeyDPPJOMUVDNDNJG-UHFFFAOYSA-N
XLogP1.64
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

10-(3-methoxyphenyl)-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one
CID 2034808
8-(3-chlorophenyl)-5-methyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 135994397
5-(3-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2055225
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56977470
5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3761227
8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 30466287
3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
CID 13062966
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076126
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The IUPAC name of 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (CID 135994379) is 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.
What is the SMILES notation for 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The canonical SMILES for 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is COc1cccc(-c2c3c(=O)[nH]ccc3nc3ncnn23)c1.
What is the InChIKey of 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The InChIKey is DPPJOMUVDNDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-22-10-4-2-3-9(7-10)13-12-11(5-6-16-14(12)21)19-15-17-8-18-20(13)15/h2-8H,1H3,(H,16,21).
What are the key properties of 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one has a molecular weight of 293.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is sourced from PubChem (CID 135994379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).