2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C18H16BrN3O — CID 53153758

IUPAC2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(Cc1cn2cc(Br)ccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C18H16BrN3O/c19-15-5-6-17-20-16(12-22(17)11-15)9-18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,11-12H,7-10H2
InChIKeyKWMAGNQTSIHIMI-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.22
Rot. Bonds2

About 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 53153758) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID53153758
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(Cc1cn2cc(Br)ccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C18H16BrN3O/c19-15-5-6-17-20-16(12-22(17)11-15)9-18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,11-12H,7-10H2
InChIKeyKWMAGNQTSIHIMI-UHFFFAOYSA-N
XLogP3.22
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

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Related Compounds

N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71938865
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634378
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680042
2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 94761073
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939
2-(3,4-dichlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2440562
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 7490439
4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 45372098
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfanylethanone
CID 66494888

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 53153758) is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(Cc1cn2cc(Br)ccc2n1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is KWMAGNQTSIHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-15-5-6-17-20-16(12-22(17)11-15)9-18(23)21-8-7-13-3-1-2-4-14(13)10-21/h1-6,11-12H,7-10H2.
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 370.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 53153758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).