2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid

C17H13BrN2O4 — CID 168916647

IUPAC2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1
InChIInChI=1S/C17H13BrN2O4/c18-13-1-2-15-12(7-13)8-14(10-20-15)23-5-6-24-16-9-11(17(21)22)3-4-19-16/h1-4,7-10H,5-6H2,(H,21,22)
InChIKeyVQGWNQLNTCLJDR-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid

2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid (PubChem CID 168916647) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
PubChem CID168916647
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1
InChIInChI=1S/C17H13BrN2O4/c18-13-1-2-15-12(7-13)8-14(10-20-15)23-5-6-24-16-9-11(17(21)22)3-4-19-16/h1-4,7-10H,5-6H2,(H,21,22)
InChIKeyVQGWNQLNTCLJDR-UHFFFAOYSA-N
XLogP3.55
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde
CID 71621290
Ethyl 2-[3-(3-bromoquinolin-6-yl)oxy-5-fluoro-2-pyridinyl]acetate
CID 154628504
2-(7-Bromoquinoline-4-carbonyl)oxy-7-fluoroquinoline-4-carboxylic acid
CID 160010210
8-(Pyridin-2-ylmethoxy) quinoline-2-carboxylic acid
CID 172876379
3-Fluoro-2-quinolin-8-yloxypyridine-4-carboxylic acid
CID 105379970
3-Fluoro-2-quinolin-3-yloxypyridine-4-carboxylic acid
CID 107387032
5-[[3-(Quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid
CID 22241573
(Z)-2-[5-[3-(3-acetyloxy-4-pyridinyl)propoxy]-6-[(3-bromophenyl)methyl]-3-pyridinyl]but-2-enedioic acid
CID 23506265
6-Bromo-3-phenylmethoxyquinoline
CID 53429182
6-Bromo-3-(2-methoxyethoxy)quinoline
CID 66617283
2-[(6-Bromo-3-quinolinyl)oxy]butanoic acid
CID 67322066
Methyl 2-[(6-bromo-3-quinolinyl)oxy]butanoate
CID 67322323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid (CID 168916647) is 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid is O=C(O)c1ccnc(OCCOc2cnc3ccc(Br)cc3c2)c1.
What is the InChIKey of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid?
The InChIKey is VQGWNQLNTCLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c18-13-1-2-15-12(7-13)8-14(10-20-15)23-5-6-24-16-9-11(17(21)22)3-4-19-16/h1-4,7-10H,5-6H2,(H,21,22).
What are the key properties of 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid?
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid has a molecular weight of 389.21 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 168916647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).