(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol

C11H11NO4 — CID 125118334

IUPAC(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
SMILESCOc1c2c(cc3c1OCO3)[C@@H](O)CN=C2
InChIInChI=1S/C11H11NO4/c1-14-10-7-3-12-4-8(13)6(7)2-9-11(10)16-5-15-9/h2-3,8,13H,4-5H2,1H3/t8-/m0/s1
InChIKeyNJCIOKUPGRWUFE-QMMMGPOBSA-N
MW221.21 g/mol
LogP0.89
Rot. Bonds1

About (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol

(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol (PubChem CID 125118334) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol.

Molecular Properties

Compound Name(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
PubChem CID125118334
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
SMILESCOc1c2c(cc3c1OCO3)[C@@H](O)CN=C2
InChIInChI=1S/C11H11NO4/c1-14-10-7-3-12-4-8(13)6(7)2-9-11(10)16-5-15-9/h2-3,8,13H,4-5H2,1H3/t8-/m0/s1
InChIKeyNJCIOKUPGRWUFE-QMMMGPOBSA-N
XLogP0.89
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
(1R,17R,18R,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98394392
(1R,17R,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98263767
(5R)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 42586988
(5R)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 42586981
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid
CID 117455174
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
(1S,21S,24S)-9,12-dimethoxy-24-methyl-5,7,14,16,23-pentaoxahexacyclo[19.2.1.02,10.04,8.011,19.013,17]tetracosa-2,4(8),9,11,13(17),18-hexaene
CID 162986275
[(11R,13R)-3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
CID 24905754
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162

Frequently Asked Questions

What is the IUPAC name of (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The IUPAC name of (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol (CID 125118334) is (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol.
What is the SMILES notation for (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The canonical SMILES for (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol is COc1c2c(cc3c1OCO3)[C@@H](O)CN=C2.
What is the InChIKey of (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
The InChIKey is NJCIOKUPGRWUFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11NO4/c1-14-10-7-3-12-4-8(13)6(7)2-9-11(10)16-5-15-9/h2-3,8,13H,4-5H2,1H3/t8-/m0/s1.
What are the key properties of (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol?
(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol has a molecular weight of 221.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol is sourced from PubChem (CID 125118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).