(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline

C22H27NO4 — CID 90073500

IUPAC(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
SMILESCOc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1[C@H](C)C2
InChIInChI=1S/C22H27NO4/c1-13-8-15-10-20(25-3)21(26-4)11-16(15)18-9-14-6-7-19(24-2)22(27-5)17(14)12-23(13)18/h6-7,10-11,13,18H,8-9,12H2,1-5H3/t13-,18?/m1/s1
InChIKeyJLWSWPVVKPTKOH-YJJYDOSJSA-N
MW369.46 g/mol
LogP3.77
Rot. Bonds4

About (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline

(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline (PubChem CID 90073500) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline.

Molecular Properties

Compound Name(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
PubChem CID90073500
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
SMILESCOc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1[C@H](C)C2
InChIInChI=1S/C22H27NO4/c1-13-8-15-10-20(25-3)21(26-4)11-16(15)18-9-14-6-7-19(24-2)22(27-5)17(14)12-23(13)18/h6-7,10-11,13,18H,8-9,12H2,1-5H3/t13-,18?/m1/s1
InChIKeyJLWSWPVVKPTKOH-YJJYDOSJSA-N
XLogP3.77
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073371
3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 78011377
2,3,9-trimethoxy-10-(trideuteriomethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 175731940
(13aS)-2,3,10-trimethoxy-9-(trideuteriomethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 139343003
2,3,10-trimethoxy-9-(trideuteriomethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 175731855
(6R,13aS)-3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 71109992
(13aS)-2-cyclopentyloxy-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;hydrochloride
CID 154940670
(13aR)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
CID 71261649
2,3,9,10-tetrakis(trideuteriomethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 175731866
3,9-dimethoxy-2,10-bis(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 14011128
(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol;(13aS)-2,3,9-trimethoxy-10-(trideuteriomethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;molecular iodine;trideuterio(iodo)methane
CID 159510449
(2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 2,4,6-trimethylbenzenesulfonate
CID 164617470

Frequently Asked Questions

What is the IUPAC name of (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline?
The IUPAC name of (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline (CID 90073500) is (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline.
What is the SMILES notation for (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline?
The canonical SMILES for (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline is COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1[C@H](C)C2.
What is the InChIKey of (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline?
The InChIKey is JLWSWPVVKPTKOH-YJJYDOSJSA-N. The full InChI is InChI=1S/C22H27NO4/c1-13-8-15-10-20(25-3)21(26-4)11-16(15)18-9-14-6-7-19(24-2)22(27-5)17(14)12-23(13)18/h6-7,10-11,13,18H,8-9,12H2,1-5H3/t13-,18?/m1/s1.
What are the key properties of (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline?
(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline has a molecular weight of 369.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline is sourced from PubChem (CID 90073500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).