7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C46H48N2O6 — CID 78104269

IUPAC7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1cccc2c(-c3ccc4c(c3O)C(C)NC(C)C4)c(C)c(-c3c(C)c(-c4ccc5c(c4O)C(C)NC(C)C5)c4cccc(OC)c4c3O)c(O)c12
InChIInChI=1S/C46H48N2O6/c1-21-19-27-15-17-31(43(49)39(27)25(5)47-21)35-23(3)37(45(51)41-29(35)11-9-13-33(41)53-7)38-24(4)36(30-12-10-14-34(54-8)42(30)46(38)52)32-18-16-28-20-22(2)48-26(6)40(28)44(32)50/h9-18,21-22,25-26,47-52H,19-20H2,1-8H3
InChIKeyRDYUUUNZMHSHKP-UHFFFAOYSA-N
MW724.90 g/mol
LogP9.64
Rot. Bonds5

About 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 78104269) has the molecular formula C46H48N2O6 and a molecular weight of 724.90 g/mol. Its IUPAC name is 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID78104269
Molecular FormulaC46H48N2O6
Molecular Weight724.90 g/mol
Exact Mass724.35
IUPAC Name7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1cccc2c(-c3ccc4c(c3O)C(C)NC(C)C4)c(C)c(-c3c(C)c(-c4ccc5c(c4O)C(C)NC(C)C5)c4cccc(OC)c4c3O)c(O)c12
InChIInChI=1S/C46H48N2O6/c1-21-19-27-15-17-31(43(49)39(27)25(5)47-21)35-23(3)37(45(51)41-29(35)11-9-13-33(41)53-7)38-24(4)36(30-12-10-14-34(54-8)42(30)46(38)52)32-18-16-28-20-22(2)48-26(6)40(28)44(32)50/h9-18,21-22,25-26,47-52H,19-20H2,1-8H3
InChIKeyRDYUUUNZMHSHKP-UHFFFAOYSA-N
XLogP9.64
TPSA123.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.90
LogP ≤ 59.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol with MolForge

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Related Compounds

(1R,3R)-7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10384109
(1R,3R)-7-[1-hydroxy-4-[4-hydroxy-3-[(1R,3R)-8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-6-methylnaphthalen-2-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10771184
(1S,3S)-5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15767943
(1R,3R)-7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 155552929
7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 73079738
5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 5016519
(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10845999
(3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 70987400
(1S,3R)-5-[3-[4-[(1R,3S)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 97289899
(1S,3R)-5-[3-[4-[(1S,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 5319823
(1S,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15377959
(1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 10093654

Frequently Asked Questions

What is the IUPAC name of 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 78104269) is 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is COc1cccc2c(-c3ccc4c(c3O)C(C)NC(C)C4)c(C)c(-c3c(C)c(-c4ccc5c(c4O)C(C)NC(C)C5)c4cccc(OC)c4c3O)c(O)c12.
What is the InChIKey of 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is RDYUUUNZMHSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2O6/c1-21-19-27-15-17-31(43(49)39(27)25(5)47-21)35-23(3)37(45(51)41-29(35)11-9-13-33(41)53-7)38-24(4)36(30-12-10-14-34(54-8)42(30)46(38)52)32-18-16-28-20-22(2)48-26(6)40(28)44(32)50/h9-18,21-22,25-26,47-52H,19-20H2,1-8H3.
What are the key properties of 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 724.90 g/mol, XLogP of 9.64, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-hydroxy-3-[1-hydroxy-4-(8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-2-yl]-5-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 78104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).