2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

C30H31N3O4 — CID 46091024

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(N3CCc4ccccc4C3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C30H31N3O4/c1-32(18-20-15-26(35-2)29(37-4)27(16-20)36-3)30(34)24-17-28(31-25-12-8-7-11-23(24)25)33-14-13-21-9-5-6-10-22(21)19-33/h5-12,15-17H,13-14,18-19H2,1-4H3
InChIKeyVUAHEEYMYIUXHV-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.10
Rot. Bonds7

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 46091024) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID46091024
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(N3CCc4ccccc4C3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C30H31N3O4/c1-32(18-20-15-26(35-2)29(37-4)27(16-20)36-3)30(34)24-17-28(31-25-12-8-7-11-23(24)25)33-14-13-21-9-5-6-10-22(21)19-33/h5-12,15-17H,13-14,18-19H2,1-4H3
InChIKeyVUAHEEYMYIUXHV-UHFFFAOYSA-N
XLogP5.10
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46090994
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide
CID 46091074
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46090825
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]quinoline-4-carboxamide
CID 46091069
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46090954
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-ethylhexyl]quinoline-4-carboxamide
CID 92772039
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide (CID 46091024) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is COc1cc(CN(C)C(=O)c2cc(N3CCc4ccccc4C3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is VUAHEEYMYIUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-32(18-20-15-26(35-2)29(37-4)27(16-20)36-3)30(34)24-17-28(31-25-12-8-7-11-23(24)25)33-14-13-21-9-5-6-10-22(21)19-33/h5-12,15-17H,13-14,18-19H2,1-4H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46091024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).