7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid

C17H11Br2NO2 — CID 5275532

IUPAC7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1c(Br)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C17H11Br2NO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChIKeyJTYPFFVADGWNGS-UHFFFAOYSA-N
MW421.09 g/mol
LogP5.43
Rot. Bonds2

About 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid

7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 5275532) has the molecular formula C17H11Br2NO2 and a molecular weight of 421.09 g/mol. Its IUPAC name is 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID5275532
Molecular FormulaC17H11Br2NO2
Molecular Weight421.09 g/mol
Exact Mass418.92
IUPAC Name7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1c(Br)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C17H11Br2NO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
InChIKeyJTYPFFVADGWNGS-UHFFFAOYSA-N
XLogP5.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.09
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Tetrophan
CID 120171
Brequinar Analog
CID 1543
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
2-(3-Bromophenyl)quinoline-4-carboxylic acid
CID 673699
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid (CID 5275532) is 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid is Cc1c(Br)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is JTYPFFVADGWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2NO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22).
What are the key properties of 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid?
7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 421.09 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-bromophenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5275532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).