6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol

C18H12F2N2O2 — CID 90905287

IUPAC6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol
SMILESOc1c2cc(OC(F)F)ccc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C18H12F2N2O2/c19-18(20)24-14-5-3-12-10-22(17(23)15(12)9-14)13-4-6-16-11(8-13)2-1-7-21-16/h1-10,18,23H
InChIKeyWYSALIXDHGFODL-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.49
Rot. Bonds3

About 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol

6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol (PubChem CID 90905287) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol
PubChem CID90905287
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol
SMILESOc1c2cc(OC(F)F)ccc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C18H12F2N2O2/c19-18(20)24-14-5-3-12-10-22(17(23)15(12)9-14)13-4-6-16-11(8-13)2-1-7-21-16/h1-10,18,23H
InChIKeyWYSALIXDHGFODL-UHFFFAOYSA-N
XLogP4.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-indol-1-ylbutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56640861
Benzyl (3-ethyl-7-phenylpyrrolo[3,2-f]quinolin-9-yl) carbonate
CID 122192620
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
2-(3-(5-fluoro-1H-indol-3-yl)-propyl)-6-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9880984
5,5'-(4-(Trifluoromethoxy)benzylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112558
2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 54753271
6,7-dimethoxy-2-[4-(3-phenylindol-1-yl)butyl]-3,4-dihydro-1H-isoquinoline
CID 56642431
4-(5-Methoxyindol-1-yl)-2-methylquinoline
CID 141750511
9-Methoxy-2,6-dimethylellipticinium iodide
CID 24193683
2-[3-(5-fluoro-1H-indol-3-yl)propyl]-6-(111C)methoxy-3,4-dihydro-1H-isoquinoline
CID 24857858
11-methyl-6,11-dihydro-5H-pyrido[4,3-a]carbazol-8-ol
CID 44412031
2-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 72722778

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol?
The IUPAC name of 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol (CID 90905287) is 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol.
What is the SMILES notation for 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol?
The canonical SMILES for 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol is Oc1c2cc(OC(F)F)ccc2cn1-c1ccc2ncccc2c1.
What is the InChIKey of 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol?
The InChIKey is WYSALIXDHGFODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-18(20)24-14-5-3-12-10-22(17(23)15(12)9-14)13-4-6-16-11(8-13)2-1-7-21-16/h1-10,18,23H.
What are the key properties of 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol?
6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol has a molecular weight of 326.30 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol is sourced from PubChem (CID 90905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).