9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide

C16H22BrNO3 — CID 141150427

IUPAC9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
SMILESBr.CCOc1cc2c(cc1OC)C=NC1CCC(O)CC21
InChIInChI=1S/C16H21NO3.BrH/c1-3-20-16-8-12-10(6-15(16)19-2)9-17-14-5-4-11(18)7-13(12)14;/h6,8-9,11,13-14,18H,3-5,7H2,1-2H3;1H
InChIKeyTYQBKMSWAWYGNZ-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.10
Rot. Bonds3

About 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide

9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide (PubChem CID 141150427) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide.

Molecular Properties

Compound Name9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
PubChem CID141150427
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
SMILESBr.CCOc1cc2c(cc1OC)C=NC1CCC(O)CC21
InChIInChI=1S/C16H21NO3.BrH/c1-3-20-16-8-12-10(6-15(16)19-2)9-17-14-5-4-11(18)7-13(12)14;/h6,8-9,11,13-14,18H,3-5,7H2,1-2H3;1H
InChIKeyTYQBKMSWAWYGNZ-UHFFFAOYSA-N
XLogP3.10
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4aR,10bR)-6-[2-(dimethylamino)pyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;dihydrobromide
CID 162318635
5-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]-1-methylpyrimidin-2-one;dihydrobromide
CID 162331254
3-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]-1-methylpyridin-2-one
CID 141270928
(2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(6-methoxy-3-pyridinyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 67022754
(2R,4aR,10bR)-6-[2-(dimethylamino)pyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 67022568
6-(2,6-dimethoxypyrimidin-4-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11654535
(2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methoxypyrimidin-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 67022553
(2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(2-methylsulfanyl-3-pyridinyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 67340543
(2R,4aR,10bR)-6-(3,6-dimethoxypyridazin-4-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;oxalic acid
CID 67022638
9-ethoxy-8-methoxy-6-(1-methylimidazol-2-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;9-ethoxy-8-methoxy-1-(oxadiazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 160631281
9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11690635
(2R,4aR,10bR)-6-(4,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;(2R)-2-hydroxybutanedioic acid
CID 11853493

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The IUPAC name of 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide (CID 141150427) is 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide.
What is the SMILES notation for 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The canonical SMILES for 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide is Br.CCOc1cc2c(cc1OC)C=NC1CCC(O)CC21.
What is the InChIKey of 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The InChIKey is TYQBKMSWAWYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3.BrH/c1-3-20-16-8-12-10(6-15(16)19-2)9-17-14-5-4-11(18)7-13(12)14;/h6,8-9,11,13-14,18H,3-5,7H2,1-2H3;1H.
What are the key properties of 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide has a molecular weight of 356.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide is sourced from PubChem (CID 141150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).