2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

C30H31N3O4 — CID 46090954

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc12
InChIInChI=1S/C30H31N3O4/c1-4-37-26-12-8-5-9-21(26)18-31-30(34)24-17-29(32-25-11-7-6-10-23(24)25)33-14-13-20-15-27(35-2)28(36-3)16-22(20)19-33/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,31,34)
InChIKeyLWGQPQDXNHGLMN-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.14
Rot. Bonds8

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 46090954) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID46090954
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc12
InChIInChI=1S/C30H31N3O4/c1-4-37-26-12-8-5-9-21(26)18-31-30(34)24-17-29(32-25-11-7-6-10-23(24)25)33-14-13-20-15-27(35-2)28(36-3)16-22(20)19-33/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,31,34)
InChIKeyLWGQPQDXNHGLMN-UHFFFAOYSA-N
XLogP5.14
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]quinoline-4-carboxamide
CID 46091069
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-[(2R)-2-ethylhexyl]quinoline-4-carboxamide
CID 92772039
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide
CID 46091074
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46091024
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide (CID 46090954) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide is CCOc1ccccc1CNC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc12.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is LWGQPQDXNHGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-4-37-26-12-8-5-9-21(26)18-31-30(34)24-17-29(32-25-11-7-6-10-23(24)25)33-14-13-20-15-27(35-2)28(36-3)16-22(20)19-33/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,31,34).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46090954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).