1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane

C24H34N2O3 — CID 143447281

IUPAC1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane
SMILESCCC.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C21H26N2O3.C3H8/c1-14(2)21(24)23-10-9-16-11-18(7-6-17(16)12-23)26-13-19-20(25-4)8-5-15(3)22-19;1-3-2/h5-8,11,14H,9-10,12-13H2,1-4H3;3H2,1-2H3
InChIKeyGVNZDQPXAJQBRV-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.93
Rot. Bonds5

About 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane

1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane (PubChem CID 143447281) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane.

Molecular Properties

Compound Name1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane
PubChem CID143447281
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane
SMILESCCC.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C21H26N2O3.C3H8/c1-14(2)21(24)23-10-9-16-11-18(7-6-17(16)12-23)26-13-19-20(25-4)8-5-15(3)22-19;1-3-2/h5-8,11,14H,9-10,12-13H2,1-4H3;3H2,1-2H3
InChIKeyGVNZDQPXAJQBRV-UHFFFAOYSA-N
XLogP4.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane with MolForge

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Launch Full Analysis

Related Compounds

(1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143447330
[2-methyl-1-(methylamino)-1-oxopropan-2-yl] (1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 58858192
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993189
3,4-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943152
7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride;hydrochloride
CID 162459106
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 43649394
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79169274
1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 51226432
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenoxy)ethanone
CID 110726113
1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane?
The IUPAC name of 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane (CID 143447281) is 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane.
What is the SMILES notation for 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane?
The canonical SMILES for 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane is CCC.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)C)C2.
What is the InChIKey of 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane?
The InChIKey is GVNZDQPXAJQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.C3H8/c1-14(2)21(24)23-10-9-16-11-18(7-6-17(16)12-23)26-13-19-20(25-4)8-5-15(3)22-19;1-3-2/h5-8,11,14H,9-10,12-13H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane?
1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane has a molecular weight of 398.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane is sourced from PubChem (CID 143447281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).