8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione

C15H13N5O3 — CID 135634419

IUPAC8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
SMILESCc1[nH]nc2c1C(c1cccc(O)c1)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C15H13N5O3/c1-6-9-10(7-3-2-4-8(21)5-7)11-12(16-13(9)20-19-6)17-15(23)18-14(11)22/h2-5,10,21H,1H3,(H4,16,17,18,19,20,22,23)
InChIKeyOKKQPDFOPZPTJY-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.04
Rot. Bonds1

About 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione

8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione (PubChem CID 135634419) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione.

Molecular Properties

Compound Name8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
PubChem CID135634419
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
SMILESCc1[nH]nc2c1C(c1cccc(O)c1)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C15H13N5O3/c1-6-9-10(7-3-2-4-8(21)5-7)11-12(16-13(9)20-19-6)17-15(23)18-14(11)22/h2-5,10,21H,1H3,(H4,16,17,18,19,20,22,23)
InChIKeyOKKQPDFOPZPTJY-UHFFFAOYSA-N
XLogP1.04
TPSA126.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione with MolForge

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Related Compounds

(8S)-8-(4-chlorophenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135898236
8-(3-hydroxyphenyl)-6,11,13-trimethyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135634048
4-(3-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 2998075
4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)phenol
CID 137178180
6,10-dimethyl-8-(3-nitrophenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178190
4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol
CID 137295266
6-(4-chlorophenyl)-8-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135633520
methyl 5-(3-bromophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 14937706
6,10-dimethyl-8-(4-methylphenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137193910
4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 23608258
(4R)-6-amino-4-(3-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675917
benzyl (5S)-5-(3-fluorophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7818061

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione?
The IUPAC name of 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione (CID 135634419) is 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione.
What is the SMILES notation for 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione?
The canonical SMILES for 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione is Cc1[nH]nc2c1C(c1cccc(O)c1)c1c([nH]c(=O)[nH]c1=O)N2.
What is the InChIKey of 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione?
The InChIKey is OKKQPDFOPZPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-6-9-10(7-3-2-4-8(21)5-7)11-12(16-13(9)20-19-6)17-15(23)18-14(11)22/h2-5,10,21H,1H3,(H4,16,17,18,19,20,22,23).
What are the key properties of 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione?
8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione has a molecular weight of 311.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione is sourced from PubChem (CID 135634419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).