methyl 2-(4-bromophenyl)quinoline-4-carboxylate

C17H12BrNO2 — CID 874713

IUPACmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H12BrNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyURQFSFUSXWWPTM-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.45
Rot. Bonds2

About methyl 2-(4-bromophenyl)quinoline-4-carboxylate

methyl 2-(4-bromophenyl)quinoline-4-carboxylate (PubChem CID 874713) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)quinoline-4-carboxylate
PubChem CID874713
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Namemethyl 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H12BrNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyURQFSFUSXWWPTM-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 16568800
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
dimethyl 2-[[2-[2-(4-bromophenyl)quinoline-4-carbonyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 23906686
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
pentyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3819494
methyl 2-(4-azidophenyl)quinoline-4-carboxylate
CID 169325072
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)quinoline-4-carboxylate (CID 874713) is methyl 2-(4-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The InChIKey is URQFSFUSXWWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of methyl 2-(4-bromophenyl)quinoline-4-carboxylate?
methyl 2-(4-bromophenyl)quinoline-4-carboxylate has a molecular weight of 342.19 g/mol, XLogP of 4.45, 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)quinoline-4-carboxylate is sourced from PubChem (CID 874713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).