2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol

C18H16N2O — CID 104504591

IUPAC2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1NCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(17-15-8-4-2-6-13(15)10-20-17)16-11-19-9-12-5-1-3-7-14(12)16/h1-9,11,17-18,20-21H,10H2
InChIKeyUDTZPLDOSYZQEJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.11
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol

2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol (PubChem CID 104504591) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
PubChem CID104504591
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1NCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(17-15-8-4-2-6-13(15)10-20-17)16-11-19-9-12-5-1-3-7-14(12)16/h1-9,11,17-18,20-21H,10H2
InChIKeyUDTZPLDOSYZQEJ-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Isoquinolin-1-yl(phenyl)methanol
CID 2789853
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 659239
(3-Phenylisoquinolin-4-yl)methanol
CID 11806617
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 5149882
2-(Benzylamino)-1-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 41503
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 42945416
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol
CID 86287813
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol
CID 86288675
(Isoquinolin-1-yl)(pyridin-3-yl)methanol
CID 3063446
Isoquinolin-4-ylmethanol
CID 12746377
(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol
CID 58098334

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol (CID 104504591) is 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol is OC(c1cncc2ccccc12)C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol?
The InChIKey is UDTZPLDOSYZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(17-15-8-4-2-6-13(15)10-20-17)16-11-19-9-12-5-1-3-7-14(12)16/h1-9,11,17-18,20-21H,10H2.
What are the key properties of 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol?
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol has a molecular weight of 276.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol is sourced from PubChem (CID 104504591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).