2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid

C18H14BrNO3 — CID 5275529

IUPAC2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(CO)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H14BrNO3/c1-10-6-12(9-21)17-14(7-10)15(18(22)23)8-16(20-17)11-2-4-13(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyUEYQWDJIXCOYKV-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid

2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 5275529) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid
PubChem CID5275529
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1cc(CO)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H14BrNO3/c1-10-6-12(9-21)17-14(7-10)15(18(22)23)8-16(20-17)11-2-4-13(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyUEYQWDJIXCOYKV-UHFFFAOYSA-N
XLogP4.16
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cinchophen
CID 8593
Neocinchophen
CID 68089
Tetrophan
CID 120171
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
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid (CID 5275529) is 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid is Cc1cc(CO)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is UEYQWDJIXCOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-10-6-12(9-21)17-14(7-10)15(18(22)23)8-16(20-17)11-2-4-13(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23).
What are the key properties of 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid?
2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5275529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).