[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

C22H25N3O4 — CID 156794900

IUPAC[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)N2CC4(COC4)C2)CC3)nc1
InChIInChI=1S/C22H25N3O4/c1-27-20-5-3-18(23-9-20)11-29-19-4-2-16-6-7-24(10-17(16)8-19)21(26)25-12-22(13-25)14-28-15-22/h2-5,8-9H,6-7,10-15H2,1H3
InChIKeyJSBOGJMNNLRGBZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.48
Rot. Bonds4

About [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (PubChem CID 156794900) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

Compound Name[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
PubChem CID156794900
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)N2CC4(COC4)C2)CC3)nc1
InChIInChI=1S/C22H25N3O4/c1-27-20-5-3-18(23-9-20)11-29-19-4-2-16-6-7-24(10-17(16)8-19)21(26)25-12-22(13-25)14-28-15-22/h2-5,8-9H,6-7,10-15H2,1H3
InChIKeyJSBOGJMNNLRGBZ-UHFFFAOYSA-N
XLogP2.48
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride;hydrochloride
CID 162459106
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 156525010
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 119182591
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone
CID 158139167
(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 156525322
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
CID 167991950
1-[(3S)-3-hydroxy-3-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 129486694
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
5-[7-[(4-methoxycyclohepta-1,3,5-trien-1-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1-methylpyrazin-2-one
CID 156794913
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030

Frequently Asked Questions

What is the IUPAC name of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The IUPAC name of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (CID 156794900) is [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.
What is the SMILES notation for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The canonical SMILES for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is COc1ccc(COc2ccc3c(c2)CN(C(=O)N2CC4(COC4)C2)CC3)nc1.
What is the InChIKey of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The InChIKey is JSBOGJMNNLRGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-20-5-3-18(23-9-20)11-29-19-4-2-16-6-7-24(10-17(16)8-19)21(26)25-12-22(13-25)14-28-15-22/h2-5,8-9H,6-7,10-15H2,1H3.
What are the key properties of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 156794900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).