2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride

C16H25ClN2O3 — CID 120993189

IUPAC2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
SMILESCCCOc1ccc2c(c1)CCN(C(=O)C(N)COC)C2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-8-21-14-5-4-13-10-18(7-6-12(13)9-14)16(19)15(17)11-20-2;/h4-5,9,15H,3,6-8,10-11,17H2,1-2H3;1H
InChIKeyMQBMLFHGVLKNFR-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.76
Rot. Bonds6

About 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride

2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride (PubChem CID 120993189) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
PubChem CID120993189
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
SMILESCCCOc1ccc2c(c1)CCN(C(=O)C(N)COC)C2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-8-21-14-5-4-13-10-18(7-6-12(13)9-14)16(19)15(17)11-20-2;/h4-5,9,15H,3,6-8,10-11,17H2,1-2H3;1H
InChIKeyMQBMLFHGVLKNFR-UHFFFAOYSA-N
XLogP1.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxypropan-1-one;hydrochloride
CID 120983721
2-(2-amino-3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999397
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 43649394
(2R)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 103793923
2-amino-1-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxypropan-1-one;hydrochloride
CID 120988244
2-[[ethylamino-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110048543
N-methyl-6-(3-methylpentoxy)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170121464
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxybenzenesulfonamide
CID 16943958
3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride
CID 119955874
N,N-dimethyl-2-[[(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110048544
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133394689

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride (CID 120993189) is 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride is CCCOc1ccc2c(c1)CCN(C(=O)C(N)COC)C2.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The InChIKey is MQBMLFHGVLKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-3-8-21-14-5-4-13-10-18(7-6-12(13)9-14)16(19)15(17)11-20-2;/h4-5,9,15H,3,6-8,10-11,17H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120993189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).