2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione

C32H26N2O7 — CID 127027299

IUPAC2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione
SMILESCOc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1C1(O)C(=O)c2cc(C)cc3ccc(=O)n1c23)C=CC(C)(C)O4
InChIInChI=1S/C32H26N2O7/c1-15-12-16-6-9-23(36)34-26(16)19(13-15)30(38)32(34,39)25-21(40-5)8-7-18-28(25)33(4)27-17-10-11-31(2,3)41-22(17)14-20(35)24(27)29(18)37/h6-14,35,39H,1-5H3
InChIKeyXLPUBLKUJHSITH-UHFFFAOYSA-N
MW550.57 g/mol
LogP4.10
Rot. Bonds2

About 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione

2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione (PubChem CID 127027299) has the molecular formula C32H26N2O7 and a molecular weight of 550.57 g/mol. Its IUPAC name is 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione.

Molecular Properties

Compound Name2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione
PubChem CID127027299
Molecular FormulaC32H26N2O7
Molecular Weight550.57 g/mol
Exact Mass550.17
IUPAC Name2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione
SMILESCOc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1C1(O)C(=O)c2cc(C)cc3ccc(=O)n1c23)C=CC(C)(C)O4
InChIInChI=1S/C32H26N2O7/c1-15-12-16-6-9-23(36)34-26(16)19(13-15)30(38)32(34,39)25-21(40-5)8-7-18-28(25)33(4)27-17-10-11-31(2,3)41-22(17)14-20(35)24(27)29(18)37/h6-14,35,39H,1-5H3
InChIKeyXLPUBLKUJHSITH-UHFFFAOYSA-N
XLogP4.10
TPSA119.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione?
The IUPAC name of 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione (CID 127027299) is 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione.
What is the SMILES notation for 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione?
The canonical SMILES for 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione is COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1C1(O)C(=O)c2cc(C)cc3ccc(=O)n1c23)C=CC(C)(C)O4.
What is the InChIKey of 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione?
The InChIKey is XLPUBLKUJHSITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O7/c1-15-12-16-6-9-23(36)34-26(16)19(13-15)30(38)32(34,39)25-21(40-5)8-7-18-28(25)33(4)27-17-10-11-31(2,3)41-22(17)14-20(35)24(27)29(18)37/h6-14,35,39H,1-5H3.
What are the key properties of 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione?
2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione has a molecular weight of 550.57 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(6-hydroxy-10-methoxy-3,3,12-trimethyl-7-oxopyrano[2,3-c]acridin-11-yl)-6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,11-dione is sourced from PubChem (CID 127027299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).