2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid

C15H10BrNO3 — CID 104653272

IUPAC2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc(Br)o3)nc12
InChIInChI=1S/C15H10BrNO3/c1-8-3-2-4-9-10(15(18)19)7-11(17-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3,(H,18,19)
InChIKeyQHMRXEOWEQYAME-UHFFFAOYSA-N
MW332.15 g/mol
LogP4.26
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid

2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid (PubChem CID 104653272) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
PubChem CID104653272
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc(Br)o3)nc12
InChIInChI=1S/C15H10BrNO3/c1-8-3-2-4-9-10(15(18)19)7-11(17-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3,(H,18,19)
InChIKeyQHMRXEOWEQYAME-UHFFFAOYSA-N
XLogP4.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
CID 50889207
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid (CID 104653272) is 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(-c3ccc(Br)o3)nc12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is QHMRXEOWEQYAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-3-2-4-9-10(15(18)19)7-11(17-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 332.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 104653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).