2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide

C28H30N2O5 — CID 46207680

IUPAC2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1COCc1ccccc1
InChIInChI=1S/C28H30N2O5/c1-33-16-15-30-25(19-35-18-20-9-4-3-5-10-20)26(23-13-6-7-14-24(23)28(30)32)27(31)29-21-11-8-12-22(17-21)34-2/h3-14,17,25-26H,15-16,18-19H2,1-2H3,(H,29,31)
InChIKeyIPIBYPFYUIBFKF-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.11
Rot. Bonds10

About 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide

2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 46207680) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID46207680
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1COCc1ccccc1
InChIInChI=1S/C28H30N2O5/c1-33-16-15-30-25(19-35-18-20-9-4-3-5-10-20)26(23-13-6-7-14-24(23)28(30)32)27(31)29-21-11-8-12-22(17-21)34-2/h3-14,17,25-26H,15-16,18-19H2,1-2H3,(H,29,31)
InChIKeyIPIBYPFYUIBFKF-UHFFFAOYSA-N
XLogP4.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 67366910
(4S)-2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39314366
3-[(E)-2-amino-1-phenylethenyl]-2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143540010
(3R,4S)-2-(2-methoxyethyl)-N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020450
2-(2-methoxyethyl)-N-(3-methoxyphenyl)-7-nitro-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 46208576
N-(3-methoxyphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 6621354
N-(4-benzylphenyl)-2-(2-methoxyethyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 67368166
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4141253
2-[2-(dimethylamino)ethyl]-N-(3-methoxyphenyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide;methyl 2-[4-[(3-methoxyphenyl)carbamoyl]-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinolin-2-yl]acetate
CID 87373842
2-(2-methoxyethyl)-1-oxo-N-(3-pyrrol-1-ylphenyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 67366616
2-(2-methoxyethyl)-N-(3-methylphenyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide;2-(2-methoxyethyl)-1-oxo-N-(2-phenylphenyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 87373459
2-(2-methoxyethyl)-3-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 82579663

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide (CID 46207680) is 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide is COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1COCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is IPIBYPFYUIBFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-33-16-15-30-25(19-35-18-20-9-4-3-5-10-20)26(23-13-6-7-14-24(23)28(30)32)27(31)29-21-11-8-12-22(17-21)34-2/h3-14,17,25-26H,15-16,18-19H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide?
2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 46207680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).