2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol

C18H16N2O — CID 65041727

IUPAC2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
SMILESOC(c1ccc2ncccc2c1)C1NCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(17-15-6-2-1-4-14(15)11-20-17)13-7-8-16-12(10-13)5-3-9-19-16/h1-10,17-18,20-21H,11H2
InChIKeyKKUJWAFDZXCECJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.11
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol

2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol (PubChem CID 65041727) 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(quinolin-6-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
PubChem CID65041727
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
SMILESOC(c1ccc2ncccc2c1)C1NCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(17-15-6-2-1-4-14(15)11-20-17)13-7-8-16-12(10-13)5-3-9-19-16/h1-10,17-18,20-21H,11H2
InChIKeyKKUJWAFDZXCECJ-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

7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
CID 81228640
(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 113393961
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 65041826
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
CID 104504591
(5-methyloxolan-2-yl)-quinolin-6-ylmethanol
CID 82837447
1H-pyrrol-2-yl(quinolin-6-yl)methanol
CID 112742814
6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 81228390
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
CID 103277579

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol (CID 65041727) is 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol is OC(c1ccc2ncccc2c1)C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol?
The InChIKey is KKUJWAFDZXCECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(17-15-6-2-1-4-14(15)11-20-17)13-7-8-16-12(10-13)5-3-9-19-16/h1-10,17-18,20-21H,11H2.
What are the key properties of 2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol?
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-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(quinolin-6-yl)methanol is sourced from PubChem (CID 65041727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).