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

C22H24N2O4 — CID 113205451

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]c2c1
InChIInChI=1S/C22H24N2O4/c1-13-17-6-5-16(26-2)11-18(17)23-21(13)22(25)24-8-7-14-9-19(27-3)20(28-4)10-15(14)12-24/h5-6,9-11,23H,7-8,12H2,1-4H3
InChIKeyJXIVSRLXKNJHNH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.70
Rot. Bonds4

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

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone (PubChem CID 113205451) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
PubChem CID113205451
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]c2c1
InChIInChI=1S/C22H24N2O4/c1-13-17-6-5-16(26-2)11-18(17)23-21(13)22(25)24-8-7-14-9-19(27-3)20(28-4)10-15(14)12-24/h5-6,9-11,23H,7-8,12H2,1-4H3
InChIKeyJXIVSRLXKNJHNH-UHFFFAOYSA-N
XLogP3.70
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212148
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 84544905
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 110855212

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone (CID 113205451) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone is COc1ccc2c(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]c2c1.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is JXIVSRLXKNJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-17-6-5-16(26-2)11-18(17)23-21(13)22(25)24-8-7-14-9-19(27-3)20(28-4)10-15(14)12-24/h5-6,9-11,23H,7-8,12H2,1-4H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 380.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 113205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).