3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol

C20H23NO2 — CID 82186782

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)c2c(c1)C(O)C(N1CCc3ccccc3C1)CO2
InChIInChI=1S/C20H23NO2/c1-13-9-14(2)20-17(10-13)19(22)18(12-23-20)21-8-7-15-5-3-4-6-16(15)11-21/h3-6,9-10,18-19,22H,7-8,11-12H2,1-2H3
InChIKeyLNSJSAUJIJFFTF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.16
Rot. Bonds1

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol

3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186782) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186782
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)c2c(c1)C(O)C(N1CCc3ccccc3C1)CO2
InChIInChI=1S/C20H23NO2/c1-13-9-14(2)20-17(10-13)19(22)18(12-23-20)21-8-7-15-5-3-4-6-16(15)11-21/h3-6,9-10,18-19,22H,7-8,11-12H2,1-2H3
InChIKeyLNSJSAUJIJFFTF-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 82186770
7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82186754
(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 165046428
(1S,2S,4R)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 163856851
(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dioxothiolan-3-ol
CID 98754195
1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186520
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 17462117
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,6-dimethylphenol
CID 71944660
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156502217
(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 888733
5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene;hydrochloride
CID 68594764

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol (CID 82186782) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C)c2c(c1)C(O)C(N1CCc3ccccc3C1)CO2.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is LNSJSAUJIJFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-9-14(2)20-17(10-13)19(22)18(12-23-20)21-8-7-15-5-3-4-6-16(15)11-21/h3-6,9-10,18-19,22H,7-8,11-12H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 309.41 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).