2-(3-bromophenyl)quinoline-4-carboxylic acid

C16H10BrNO2 — CID 673699

IUPAC2-(3-bromophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
InChIKeyKBIDGMKRLPPRNG-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.36
Rot. Bonds2

About 2-(3-bromophenyl)quinoline-4-carboxylic acid

2-(3-bromophenyl)quinoline-4-carboxylic acid (PubChem CID 673699) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)quinoline-4-carboxylic acid
PubChem CID673699
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name2-(3-bromophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
InChIKeyKBIDGMKRLPPRNG-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)quinoline-4-carboxylic acid (CID 673699) is 2-(3-bromophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)quinoline-4-carboxylic acid?
The InChIKey is KBIDGMKRLPPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20).
What are the key properties of 2-(3-bromophenyl)quinoline-4-carboxylic acid?
2-(3-bromophenyl)quinoline-4-carboxylic acid has a molecular weight of 328.17 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).