3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

C20H19NO5 — CID 46848859

IUPAC3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
SMILESCOc1cc2c(cc1O)CCn1c-2cc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H19NO5/c1-24-17-9-13-11(7-16(17)22)4-5-21-15(13)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3
InChIKeyDCYCGMOMFWLVFL-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.96
Rot. Bonds3

About 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one (PubChem CID 46848859) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one.

Molecular Properties

Compound Name3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
PubChem CID46848859
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
SMILESCOc1cc2c(cc1O)CCn1c-2cc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H19NO5/c1-24-17-9-13-11(7-16(17)22)4-5-21-15(13)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3
InChIKeyDCYCGMOMFWLVFL-UHFFFAOYSA-N
XLogP2.96
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
CID 11833790
3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 54705679
2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
CID 12012977
9-hydroxy-10-methoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 135668173
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
17,18-dimethoxy-5,7,11-trioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15,17,19-heptaen-14-one
CID 102133291
9,10-dimethoxy-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 54583747
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162642975
ethyl 3-(3-fluorophenyl)-8-hydroxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199206
3-methoxy-12-nitro-2-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
CID 15815881
9,10-dimethoxy-2-(prop-2-enylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2020559

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one?
The IUPAC name of 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one (CID 46848859) is 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one.
What is the SMILES notation for 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one?
The canonical SMILES for 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one is COc1cc2c(cc1O)CCn1c-2cc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one?
The InChIKey is DCYCGMOMFWLVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-17-9-13-11(7-16(17)22)4-5-21-15(13)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3.
What are the key properties of 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one?
3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one has a molecular weight of 353.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one is sourced from PubChem (CID 46848859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).