10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione

C27H26N2O3 — CID 172970713

IUPAC10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C2CCCCC12
InChIInChI=1S/C27H26N2O3/c30-23-15-16-28-25(27(23)32)26(31)21-11-5-6-12-22(21)29(28)24-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)24/h1-4,7-10,15-16,21-22,24,32H,5-6,11-14H2
InChIKeyHJLGMAXXLFLFOH-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.14
Rot. Bonds1

About 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione

10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione (PubChem CID 172970713) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione.

Molecular Properties

Compound Name10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione
PubChem CID172970713
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C2CCCCC12
InChIInChI=1S/C27H26N2O3/c30-23-15-16-28-25(27(23)32)26(31)21-11-5-6-12-22(21)29(28)24-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)24/h1-4,7-10,15-16,21-22,24,32H,5-6,11-14H2
InChIKeyHJLGMAXXLFLFOH-UHFFFAOYSA-N
XLogP4.14
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione with MolForge

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Related Compounds

5-hydroxy-3-(2-hydroxyethyl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368790
(3R)-2-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-10-hydroxy-1,2,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 155065339
(3R)-11-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 134464564
(2S)-17-hydroxy-2-phenyl-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3,5,7,16,19-pentaene-15,18-dione
CID 167028056
1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 134484255
5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)spiro[2H-pyrido[1,2-b]pyridazine-3,4'-oxane]-4,6-dione
CID 172970441
18-hydroxy-11,11-dimethyl-2-phenyl-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,17,20-pentaene-16,19-dione
CID 166563800
(3R)-11-hydroxy-2-[(2R)-5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 172970278
methyl N-[[5-hydroxy-4,6-dioxo-3-propan-2-yl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazin-2-yl]methyl]carbamate
CID 70370403
9-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4-hydroxy-13-oxa-1,8,9-triazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-2,5-dione
CID 170063856
5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3-[2-(trifluoromethoxy)ethyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368725
5-hydroxy-2-[[(3-methylsulfanyl-2-oxopropyl)amino]methyl]-3-propan-2-yl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 134484184

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione?
The IUPAC name of 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione (CID 172970713) is 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione.
What is the SMILES notation for 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione?
The canonical SMILES for 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione is O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)C2CCCCC12.
What is the InChIKey of 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione?
The InChIKey is HJLGMAXXLFLFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-23-15-16-28-25(27(23)32)26(31)21-11-5-6-12-22(21)29(28)24-19-9-3-1-7-17(19)13-14-18-8-2-4-10-20(18)24/h1-4,7-10,15-16,21-22,24,32H,5-6,11-14H2.
What are the key properties of 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione?
10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione has a molecular weight of 426.52 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-b]cinnoline-9,11-dione is sourced from PubChem (CID 172970713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).