3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride

C15H22ClN3O4 — CID 119955874

IUPAC3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride
SMILESCOc1cc2c(cc1OC)CN(C(=O)C(N)CC(N)=O)CC2.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-12-5-9-3-4-18(8-10(9)6-13(12)22-2)15(20)11(16)7-14(17)19;/h5-6,11H,3-4,7-8,16H2,1-2H3,(H2,17,19);1H
InChIKeyDLYDGWOYWVLQGC-UHFFFAOYSA-N
MW343.81 g/mol
LogP0.21
Rot. Bonds5

About 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride

3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119955874) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride
PubChem CID119955874
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride
SMILESCOc1cc2c(cc1OC)CN(C(=O)C(N)CC(N)=O)CC2.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-12-5-9-3-4-18(8-10(9)6-13(12)22-2)15(20)11(16)7-14(17)19;/h5-6,11H,3-4,7-8,16H2,1-2H3,(H2,17,19);1H
InChIKeyDLYDGWOYWVLQGC-UHFFFAOYSA-N
XLogP0.21
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride with MolForge

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Related Compounds

2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxypropan-1-one;hydrochloride
CID 120983721
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-(1,3-dihydroisoindol-2-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 23646033
4-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 81071376
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059
methyl N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
CID 110370976
N'-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 77053836
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-2-pyrrol-1-ylpentan-1-one
CID 162997289
(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164641086

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride (CID 119955874) is 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride is COc1cc2c(cc1OC)CN(C(=O)C(N)CC(N)=O)CC2.Cl.
What is the InChIKey of 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is DLYDGWOYWVLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-21-12-5-9-3-4-18(8-10(9)6-13(12)22-2)15(20)11(16)7-14(17)19;/h5-6,11H,3-4,7-8,16H2,1-2H3,(H2,17,19);1H.
What are the key properties of 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride?
3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119955874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).