2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

C16H12BrNO3 — CID 104653273

IUPAC2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccc(Br)o3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12BrNO3/c1-8-5-9(2)15-10(6-8)11(16(19)20)7-12(18-15)13-3-4-14(17)21-13/h3-7H,1-2H3,(H,19,20)
InChIKeyNTQROGKOUGBHNE-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.57
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (PubChem CID 104653273) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
PubChem CID104653273
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccc(Br)o3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12BrNO3/c1-8-5-9(2)15-10(6-8)11(16(19)20)7-12(18-15)13-3-4-14(17)21-13/h3-7H,1-2H3,(H,19,20)
InChIKeyNTQROGKOUGBHNE-UHFFFAOYSA-N
XLogP4.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (CID 104653273) is 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3ccc(Br)o3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is NTQROGKOUGBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-8-5-9(2)15-10(6-8)11(16(19)20)7-12(18-15)13-3-4-14(17)21-13/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 346.18 g/mol, XLogP of 4.57, 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)-6,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 104653273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).