6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate

C17H11BrNO3- — CID 5103273

IUPAC6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1
InChIKeyOSGMFZLPSOECIH-UHFFFAOYSA-M
MW357.18 g/mol
LogP3.04
Rot. Bonds3

About 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate

6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 5103273) has the molecular formula C17H11BrNO3- and a molecular weight of 357.18 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
PubChem CID5103273
Molecular FormulaC17H11BrNO3-
Molecular Weight357.18 g/mol
Exact Mass355.99
IUPAC Name6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1
InChIKeyOSGMFZLPSOECIH-UHFFFAOYSA-M
XLogP3.04
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate
CID 4543838

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate (CID 5103273) is 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate is COc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is OSGMFZLPSOECIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1.
What are the key properties of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate?
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 357.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 5103273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).