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

C24H28N2O4 — CID 67366910

IUPAC2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1C=C(C)C
InChIInChI=1S/C24H28N2O4/c1-16(2)14-21-22(23(27)25-17-8-7-9-18(15-17)30-4)19-10-5-6-11-20(19)24(28)26(21)12-13-29-3/h5-11,14-15,21-22H,12-13H2,1-4H3,(H,25,27)
InChIKeyGCWPOCVMICAFPZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.85
Rot. Bonds7

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

2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 67366910) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID67366910
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1C=C(C)C
InChIInChI=1S/C24H28N2O4/c1-16(2)14-21-22(23(27)25-17-8-7-9-18(15-17)30-4)19-10-5-6-11-20(19)24(28)26(21)12-13-29-3/h5-11,14-15,21-22H,12-13H2,1-4H3,(H,25,27)
InChIKeyGCWPOCVMICAFPZ-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxo-3-(phenylmethoxymethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 46207680
(4S)-2-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39314366
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-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4141253
(3S,4S)-N-(3-acetamidophenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 51971115
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
(3R,4S)-2-(2-methoxyethyl)-N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020450
3-[(E)-2-amino-1-phenylethenyl]-2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143540010
N-(3-methoxyphenyl)-1-oxo-2-(oxolan-2-ylmethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 67367559
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 67366910) is 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1C=C(C)C.
What is the InChIKey of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is GCWPOCVMICAFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)14-21-22(23(27)25-17-8-7-9-18(15-17)30-4)19-10-5-6-11-20(19)24(28)26(21)12-13-29-3/h5-11,14-15,21-22H,12-13H2,1-4H3,(H,25,27).
What are the key properties of 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(3-methoxyphenyl)-3-(2-methylprop-1-enyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 67366910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).