6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

C15H10BrNO3 — CID 753116

IUPAC6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1
InChIInChI=1S/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19)
InChIKeyPJDQCOBHWQSBSN-UHFFFAOYSA-N
MW332.15 g/mol
LogP4.26
Rot. Bonds2

About 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 753116) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
PubChem CID753116
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1
InChIInChI=1S/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19)
InChIKeyPJDQCOBHWQSBSN-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-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
6-Bromo-2-(2-furanyl)-4-quinolinecarboxylic acid
CID 686152
2-(5-Methylfuran-2-yl)quinoline-4-carboxylic acid
CID 693021
(2-Amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2372589
2-(2-Furyl)benzo[g]quinoline-4-carboxylic acid
CID 2731723
Methyl 2-(5-methyl-2-furyl)-4-quinolinecarboxylate
CID 842067
6-Bromo-2-(2-furyl)-4-quinolinecarboxylic acid
CID 23672178
2-Furan-2-yl-6,8-dimethyl-quinoline-4-carboxylic acid
CID 865220
2-(Furan-2-yl)-6-methylquinoline-4-carboxylic acid
CID 1133255
2-[5-(4-Fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
CID 698505
(4-Fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2399297
6-Bromo-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 1013959

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid (CID 753116) is 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1.
What is the InChIKey of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is PJDQCOBHWQSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19).
What are the key properties of 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
6-bromo-2-(5-methylfuran-2-yl)quinoline-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 6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).