4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol

C18H14BrN3O — CID 137130358

IUPAC4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2c(Br)ccnc2cn1CCc1ccc2ccccc2n1
InChIInChI=1S/C18H14BrN3O/c19-14-7-9-20-16-11-22(18(23)17(14)16)10-8-13-6-5-12-3-1-2-4-15(12)21-13/h1-7,9,11,23H,8,10H2
InChIKeyBQMAYTGTELZVFG-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.30
Rot. Bonds3

About 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol

4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137130358) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137130358
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2c(Br)ccnc2cn1CCc1ccc2ccccc2n1
InChIInChI=1S/C18H14BrN3O/c19-14-7-9-20-16-11-22(18(23)17(14)16)10-8-13-6-5-12-3-1-2-4-15(12)21-13/h1-7,9,11,23H,8,10H2
InChIKeyBQMAYTGTELZVFG-UHFFFAOYSA-N
XLogP4.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71558447
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
7-bromo-2-(2-quinolin-2-ylethyl)-3-sulfanylideneisoindol-1-one
CID 89314255
8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71743639
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
9-quinolin-2-ylnonan-1-ol
CID 19898716
3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one
CID 135285342
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
CID 89210421
CID 89210421

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol (CID 137130358) is 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol is Oc1c2c(Br)ccnc2cn1CCc1ccc2ccccc2n1.
What is the InChIKey of 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BQMAYTGTELZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-14-7-9-20-16-11-22(18(23)17(14)16)10-8-13-6-5-12-3-1-2-4-15(12)21-13/h1-7,9,11,23H,8,10H2.
What are the key properties of 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol?
4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 368.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-quinolin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).