(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol

C22H27NO4 — CID 78011332

IUPAC(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
SMILESCOc1ccc2c(c1)CC(C)N1Cc3c(OC)cc(OC)c(CO)c3CC21
InChIInChI=1S/C22H27NO4/c1-13-7-14-8-15(25-2)5-6-16(14)20-9-17-18(11-23(13)20)21(26-3)10-22(27-4)19(17)12-24/h5-6,8,10,13,20,24H,7,9,11-12H2,1-4H3
InChIKeyMQZYRLVKDKEWQG-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.25
Rot. Bonds4

About (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol

(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol (PubChem CID 78011332) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol.

Molecular Properties

Compound Name(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
PubChem CID78011332
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
SMILESCOc1ccc2c(c1)CC(C)N1Cc3c(OC)cc(OC)c(CO)c3CC21
InChIInChI=1S/C22H27NO4/c1-13-7-14-8-15(25-2)5-6-16(14)20-9-17-18(11-23(13)20)21(26-3)10-22(27-4)19(17)12-24/h5-6,8,10,13,20,24H,7,9,11-12H2,1-4H3
InChIKeyMQZYRLVKDKEWQG-UHFFFAOYSA-N
XLogP3.25
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,13aS)-3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 71109992
3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 78011377
3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 124739408
(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073500
(6S)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073371
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
(13aS)-2,3,9,10,11-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;(13aS)-2,3,9,12-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;(13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;3,9,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 158268296
(8S,13aS)-3,10-dimethoxy-8-phenyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-11-ol
CID 118001163
(3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-12-yl) 4-methylbenzenesulfinate
CID 145042369
2-(1-hydroxy-3-methoxybut-2-en-2-yl)-9-methoxy-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
CID 78011333
(8R,13aS)-12-bromo-8-(2-bromophenyl)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
CID 118001612
(8R,13aS)-12-bromo-3,10-dimethoxy-8-phenyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
CID 118001157

Frequently Asked Questions

What is the IUPAC name of (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol?
The IUPAC name of (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol (CID 78011332) is (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol.
What is the SMILES notation for (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol?
The canonical SMILES for (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol is COc1ccc2c(c1)CC(C)N1Cc3c(OC)cc(OC)c(CO)c3CC21.
What is the InChIKey of (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol?
The InChIKey is MQZYRLVKDKEWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-13-7-14-8-15(25-2)5-6-16(14)20-9-17-18(11-23(13)20)21(26-3)10-22(27-4)19(17)12-24/h5-6,8,10,13,20,24H,7,9,11-12H2,1-4H3.
What are the key properties of (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol?
(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol has a molecular weight of 369.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol is sourced from PubChem (CID 78011332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).