(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone

C23H26N2O4 — CID 71754385

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-27-11-10-24-15-19(18-6-4-5-7-20(18)24)23(26)25-9-8-16-12-21(28-2)22(29-3)13-17(16)14-25/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKeyONLXAPHLIAOPCK-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.50
Rot. Bonds6

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone (PubChem CID 71754385) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
PubChem CID71754385
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-27-11-10-24-15-19(18-6-4-5-7-20(18)24)23(26)25-9-8-16-12-21(28-2)22(29-3)13-17(16)14-25/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKeyONLXAPHLIAOPCK-UHFFFAOYSA-N
XLogP3.50
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone with MolForge

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Related Compounds

(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphthalazin-1-one
CID 2457710
[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 89110023
1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 110086030
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 66973768
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(methoxymethyl)phenyl]methanone
CID 38209435
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140379
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133249

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone (CID 71754385) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone is COCCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone?
The InChIKey is ONLXAPHLIAOPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-11-10-24-15-19(18-6-4-5-7-20(18)24)23(26)25-9-8-16-12-21(28-2)22(29-3)13-17(16)14-25/h4-7,12-13,15H,8-11,14H2,1-3H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone has a molecular weight of 394.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone is sourced from PubChem (CID 71754385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).