2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide

C24H20Br2N2O — CID 15945051

IUPAC2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1.[Br-]
InChIInChI=1S/C24H20BrN2O.BrH/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27;/h2-7,9-14,16H,8,15H2,1H3;1H/q+1;/p-1
InChIKeyRDEGIHWYUAEYNB-UHFFFAOYSA-M
MW512.25 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide

2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide (PubChem CID 15945051) has the molecular formula C24H20Br2N2O and a molecular weight of 512.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
PubChem CID15945051
Molecular FormulaC24H20Br2N2O
Molecular Weight512.25 g/mol
Exact Mass509.99
IUPAC Name2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1.[Br-]
InChIInChI=1S/C24H20BrN2O.BrH/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27;/h2-7,9-14,16H,8,15H2,1H3;1H/q+1;/p-1
InChIKeyRDEGIHWYUAEYNB-UHFFFAOYSA-M
XLogP2.29
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide (CID 15945051) is 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide is COc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccccc2-3)cc1.[Br-].
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide?
The InChIKey is RDEGIHWYUAEYNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20BrN2O.BrH/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27;/h2-7,9-14,16H,8,15H2,1H3;1H/q+1;/p-1.
What are the key properties of 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide?
2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide has a molecular weight of 512.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide is sourced from PubChem (CID 15945051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).