3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one

C15H22N2O2 — CID 62852740

IUPAC3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H22N2O2/c1-3-16-9-11(2)15(19)17-7-6-12-4-5-14(18)8-13(12)10-17/h4-5,8,11,16,18H,3,6-7,9-10H2,1-2H3
InChIKeyLARBWHSUZQRSQJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds4

About 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one

3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one (PubChem CID 62852740) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
PubChem CID62852740
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H22N2O2/c1-3-16-9-11(2)15(19)17-7-6-12-4-5-14(18)8-13(12)10-17/h4-5,8,11,16,18H,3,6-7,9-10H2,1-2H3
InChIKeyLARBWHSUZQRSQJ-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropan-1-one
CID 114145002
2-amino-2-ethyl-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 79814902
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpent-2-en-1-one
CID 61329873
N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71940924
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylbutan-1-one
CID 119733383
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96545898
(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
CID 146400432

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one (CID 62852740) is 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCc2ccc(O)cc2C1.
What is the InChIKey of 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one?
The InChIKey is LARBWHSUZQRSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-9-11(2)15(19)17-7-6-12-4-5-14(18)8-13(12)10-17/h4-5,8,11,16,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one?
3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 62852740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).