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

C17H17N5O3 — CID 135634048

IUPAC8-(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
SMILESCc1[nH]nc2c1C(c1cccc(O)c1)c1c(n(C)c(=O)n(C)c1=O)N2
InChIInChI=1S/C17H17N5O3/c1-8-11-12(9-5-4-6-10(23)7-9)13-15(18-14(11)20-19-8)21(2)17(25)22(3)16(13)24/h4-7,12,23H,1-3H3,(H2,18,19,20)
InChIKeyHLXIQYZKOAGGPV-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.06
Rot. Bonds1

About 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

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 (PubChem CID 135634048) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID135634048
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name8-(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
SMILESCc1[nH]nc2c1C(c1cccc(O)c1)c1c(n(C)c(=O)n(C)c1=O)N2
InChIInChI=1S/C17H17N5O3/c1-8-11-12(9-5-4-6-10(23)7-9)13-15(18-14(11)20-19-8)21(2)17(25)22(3)16(13)24/h4-7,12,23H,1-3H3,(H2,18,19,20)
InChIKeyHLXIQYZKOAGGPV-UHFFFAOYSA-N
XLogP1.06
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(5S)-5-(3-hydroxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 51894179
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)benzene-1,3-diol
CID 137295266
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
7-amino-5-(3-bromophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 154702027
(8S)-8-(3-bromophenyl)-11,13-dimethyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 7253921
4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 23608258
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
(5R)-1,3,7-trimethyl-2,4-dioxo-N,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 40771922
prop-2-enyl (5S)-5-(3-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172550
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc2c1C(c1cccc(O)c1)c1c(n(C)c(=O)n(C)c1=O)N2.
What is the InChIKey of 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?
The InChIKey is HLXIQYZKOAGGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-8-11-12(9-5-4-6-10(23)7-9)13-15(18-14(11)20-19-8)21(2)17(25)22(3)16(13)24/h4-7,12,23H,1-3H3,(H2,18,19,20).
What are the key properties of 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?
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 has a molecular weight of 339.36 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135634048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).