1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol

C26H27N3O2 — CID 90335128

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol
SMILESCn1cc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc2n1
InChIInChI=1S/C26H27N3O2/c1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3
InChIKeyFITUROXCOXJFBG-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.04
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol (PubChem CID 90335128) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol
PubChem CID90335128
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol
SMILESCn1cc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc2n1
InChIInChI=1S/C26H27N3O2/c1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3
InChIKeyFITUROXCOXJFBG-UHFFFAOYSA-N
XLogP4.04
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
1,6-Bis(4-propan-2-yloxyphenyl)indazole
CID 134179277
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127032086
7-(1-Cyclohexylpyrazol-4-yl)-4-(4-methylphenoxy)quinoline
CID 155537020
1-(3,4-dimethylphenyl)-8-methoxy-3-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990592
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-6-yl)phenoxy]propan-2-ol
CID 86729235
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1,3-dimethyl-1H-indol-6-yl)phenoxy)propan-2-ol
CID 86729270
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl)phenoxy)propan-2-ol
CID 86729294
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-5-yl)phenoxy]propan-2-ol
CID 90335157
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindazol-5-yl)phenoxy]propan-2-ol
CID 90335162
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
CID 90335238

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol (CID 90335128) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol is Cn1cc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc2n1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol?
The InChIKey is FITUROXCOXJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol has a molecular weight of 413.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 90335128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).