methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

C19H16BrNO2 — CID 19648155

IUPACmethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C19H16BrNO2/c1-11-8-12(2)18-15(9-11)16(19(22)23-3)10-17(21-18)13-4-6-14(20)7-5-13/h4-10H,1-3H3
InChIKeyMOMUFCIYNDTGDC-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.07
Rot. Bonds2

About methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 19648155) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID19648155
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Namemethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C19H16BrNO2/c1-11-8-12(2)18-15(9-11)16(19(22)23-3)10-17(21-18)13-4-6-14(20)7-5-13/h4-10H,1-3H3
InChIKeyMOMUFCIYNDTGDC-UHFFFAOYSA-N
XLogP5.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648262
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 19648155) is methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12.
What is the InChIKey of methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is MOMUFCIYNDTGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-11-8-12(2)18-15(9-11)16(19(22)23-3)10-17(21-18)13-4-6-14(20)7-5-13/h4-10H,1-3H3.
What are the key properties of methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 370.25 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 19648155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).