6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

C23H28N2O5 — CID 11567783

IUPAC6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=NC1CCC(O)CC21
InChIInChI=1S/C23H28N2O5/c1-5-30-20-11-15-16-10-13(26)6-8-18(16)24-22(17(15)12-19(20)27-2)14-7-9-21(28-3)25-23(14)29-4/h7,9,11-13,16,18,26H,5-6,8,10H2,1-4H3
InChIKeyNQMAAFUKIUCXHK-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.35
Rot. Bonds6

About 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 11567783) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID11567783
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=NC1CCC(O)CC21
InChIInChI=1S/C23H28N2O5/c1-5-30-20-11-15-16-10-13(26)6-8-18(16)24-22(17(15)12-19(20)27-2)14-7-9-21(28-3)25-23(14)29-4/h7,9,11-13,16,18,26H,5-6,8,10H2,1-4H3
InChIKeyNQMAAFUKIUCXHK-UHFFFAOYSA-N
XLogP3.35
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol with MolForge

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Related Compounds

Dimoxyline
CID 21878
4-[6-(3,4-Dimethoxyphenyl)-2-pyridinyl]phenol
CID 136502281
3-(4-Ethoxyphenyl)-6,7-dimethoxy-1-methylisoquinoline
CID 767411
2-[[6-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
CID 166631703
3-[[6-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]propan-1-ol
CID 166636077
[7-(3,4-Dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
CID 134130323
[7-(4-Methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
CID 134130602
US11559538, Example 64
CID 147708015
US11559538, Example 26
CID 148025061
US11559538, Example 180
CID 150100515
Dimoxyline HCl
CID 76969389
Isoquinolinium, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2,3-dimethyl-
CID 487637

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 11567783) is 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=NC1CCC(O)CC21.
What is the InChIKey of 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is NQMAAFUKIUCXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-30-20-11-15-16-10-13(26)6-8-18(16)24-22(17(15)12-19(20)27-2)14-7-9-21(28-3)25-23(14)29-4/h7,9,11-13,16,18,26H,5-6,8,10H2,1-4H3.
What are the key properties of 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 412.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 11567783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).