2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C23H26N2O4 — CID 661651

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1
InChIInChI=1S/C23H26N2O4/c1-14-23(18-11-17(27-2)5-6-19(18)24-14)20(26)13-25-8-7-15-9-21(28-3)22(29-4)10-16(15)12-25/h5-6,9-11,24H,7-8,12-13H2,1-4H3
InChIKeyLBPHNNDFAFIZLC-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.74
Rot. Bonds6

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 661651) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID661651
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1
InChIInChI=1S/C23H26N2O4/c1-14-23(18-11-17(27-2)5-6-19(18)24-14)20(26)13-25-8-7-15-9-21(28-3)22(29-4)10-16(15)12-25/h5-6,9-11,24H,7-8,12-13H2,1-4H3
InChIKeyLBPHNNDFAFIZLC-UHFFFAOYSA-N
XLogP3.74
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Koeniginequinone B
CID 11184822
17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 136026475
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
Ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-12H-isoquino(1,2-b)pyrrolo(3,2-f)(1,3)benzoxazine-1-carboxylate
CID 4995951
Ethyl 6-butyl-17-methoxy-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
CID 10160073
6-Methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1H-indole
CID 10473384
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 179552
5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 10850395
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 950923
1-[1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone
CID 1150667

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 661651) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is COc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is LBPHNNDFAFIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-23(18-11-17(27-2)5-6-19(18)24-14)20(26)13-25-8-7-15-9-21(28-3)22(29-4)10-16(15)12-25/h5-6,9-11,24H,7-8,12-13H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 394.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 661651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).