6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one

C30H38N2O3 — CID 59505906

IUPAC6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(OC[C@@H]3CCCO3)cc2CCN1[C@H]1CCc2cc(CN3CCCCC3)ccc2C1
InChIInChI=1S/C30H38N2O3/c33-30-29-11-10-27(35-21-28-5-4-16-34-28)19-25(29)12-15-32(30)26-9-8-23-17-22(6-7-24(23)18-26)20-31-13-2-1-3-14-31/h6-7,10-11,17,19,26,28H,1-5,8-9,12-16,18,20-21H2/t26-,28-/m0/s1
InChIKeyRSWOOWFVCGVGKK-XCZPVHLTSA-N
MW474.65 g/mol
LogP4.79
Rot. Bonds6

About 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one

6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one (PubChem CID 59505906) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one
PubChem CID59505906
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(OC[C@@H]3CCCO3)cc2CCN1[C@H]1CCc2cc(CN3CCCCC3)ccc2C1
InChIInChI=1S/C30H38N2O3/c33-30-29-11-10-27(35-21-28-5-4-16-34-28)19-25(29)12-15-32(30)26-9-8-23-17-22(6-7-24(23)18-26)20-31-13-2-1-3-14-31/h6-7,10-11,17,19,26,28H,1-5,8-9,12-16,18,20-21H2/t26-,28-/m0/s1
InChIKeyRSWOOWFVCGVGKK-XCZPVHLTSA-N
XLogP4.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-3,4-dihydroisoquinolin-1-one
CID 46892784
2-[(2S)-6-[(2-ethoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydroisoquinolin-1-one
CID 59505994
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25190242
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25164161
N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 76682532
N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505798
N-[(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(1,3-dioxolan-2-ylmethoxy)benzamide
CID 59505786
N-[(2S)-6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25190355
N-[(2S)-6-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505832
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66663494
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one (CID 59505906) is 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(OC[C@@H]3CCCO3)cc2CCN1[C@H]1CCc2cc(CN3CCCCC3)ccc2C1.
What is the InChIKey of 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is RSWOOWFVCGVGKK-XCZPVHLTSA-N. The full InChI is InChI=1S/C30H38N2O3/c33-30-29-11-10-27(35-21-28-5-4-16-34-28)19-25(29)12-15-32(30)26-9-8-23-17-22(6-7-24(23)18-26)20-31-13-2-1-3-14-31/h6-7,10-11,17,19,26,28H,1-5,8-9,12-16,18,20-21H2/t26-,28-/m0/s1.
What are the key properties of 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one?
6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 474.65 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 59505906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).