5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol

C18H15BrN2O — CID 131987057

IUPAC5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol
SMILESOc1c(C2NCCc3ccccc32)cc(Br)c2cccnc12
InChIInChI=1S/C18H15BrN2O/c19-15-10-14(18(22)17-13(15)6-3-8-20-17)16-12-5-2-1-4-11(12)7-9-21-16/h1-6,8,10,16,21-22H,7,9H2
InChIKeyHMKMSEBBHHMMSO-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.94
Rot. Bonds1

About 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol

5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol (PubChem CID 131987057) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol
PubChem CID131987057
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol
SMILESOc1c(C2NCCc3ccccc32)cc(Br)c2cccnc12
InChIInChI=1S/C18H15BrN2O/c19-15-10-14(18(22)17-13(15)6-3-8-20-17)16-12-5-2-1-4-11(12)7-9-21-16/h1-6,8,10,16,21-22H,7,9H2
InChIKeyHMKMSEBBHHMMSO-UHFFFAOYSA-N
XLogP3.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
CID 54756531
6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 81228390
5,7-dibromoquinolin-8-ol;1H-quinolin-2-one
CID 158836094
5-bromo-7-(1,3-dihydroisoindole-2-carboximidoyl)quinolin-8-ol
CID 152795280
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
8-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224395
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 143186331
5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 138690017
(1R)-1-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93488975
1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
CID 22358994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol?
The IUPAC name of 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol (CID 131987057) is 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol?
The canonical SMILES for 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol is Oc1c(C2NCCc3ccccc32)cc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol?
The InChIKey is HMKMSEBBHHMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c19-15-10-14(18(22)17-13(15)6-3-8-20-17)16-12-5-2-1-4-11(12)7-9-21-16/h1-6,8,10,16,21-22H,7,9H2.
What are the key properties of 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol?
5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol has a molecular weight of 355.24 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol is sourced from PubChem (CID 131987057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).