5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide

C19H22N2O4 — CID 96580049

IUPAC5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cc1=O
InChIInChI=1S/C19H22N2O4/c1-20-10-14-7-5-4-6-13(14)8-15(20)11-21(2)19(23)17-9-16(22)18(24-3)12-25-17/h4-7,9,12,15H,8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyVGRWOILYOZKFSP-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.78
Rot. Bonds4

About 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide

5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 96580049) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID96580049
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cc1=O
InChIInChI=1S/C19H22N2O4/c1-20-10-14-7-5-4-6-13(14)8-15(20)11-21(2)19(23)17-9-16(22)18(24-3)12-25-17/h4-7,9,12,15H,8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyVGRWOILYOZKFSP-HNNXBMFYSA-N
XLogP1.78
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
3-ethoxy-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 70756048
N,1-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]indole-6-carboxamide
CID 70725270
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91774727
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97146560
2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
2-[[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701216
N,1-dimethyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398948
N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398947
2-(dimethylamino)-N,4-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 70723221
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 95136046

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide (CID 96580049) is 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide is COc1coc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cc1=O.
What is the InChIKey of 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is VGRWOILYOZKFSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-20-10-14-7-5-4-6-13(14)8-15(20)11-21(2)19(23)17-9-16(22)18(24-3)12-25-17/h4-7,9,12,15H,8,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide?
5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 96580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).