(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H20N2O2 — CID 66250974

IUPAC(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1(C(=O)N2CCc3ccccc3C2)COCC1N
InChIInChI=1S/C15H20N2O2/c1-15(10-19-9-13(15)16)14(18)17-7-6-11-4-2-3-5-12(11)8-17/h2-5,13H,6-10,16H2,1H3
InChIKeyVVYMVDLESDKPKQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.94
Rot. Bonds1

About (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 66250974) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID66250974
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1(C(=O)N2CCc3ccccc3C2)COCC1N
InChIInChI=1S/C15H20N2O2/c1-15(10-19-9-13(15)16)14(18)17-7-6-11-4-2-3-5-12(11)8-17/h2-5,13H,6-10,16H2,1H3
InChIKeyVVYMVDLESDKPKQ-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729472
(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(1S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 98085922
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 4730795
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
(1R,4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6542196
(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 66248100

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 66250974) is (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1(C(=O)N2CCc3ccccc3C2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is VVYMVDLESDKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(10-19-9-13(15)16)14(18)17-7-6-11-4-2-3-5-12(11)8-17/h2-5,13H,6-10,16H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 66250974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).