5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid

C20H18N4O3 — CID 135300447

IUPAC5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C20H18N4O3/c25-19(24-8-2-1-3-9-24)13-4-6-15-17(10-13)23-18(12-22-15)14-5-7-16(20(26)27)21-11-14/h4-7,10-12H,1-3,8-9H2,(H,26,27)
InChIKeyABHPFJZVQBSOIS-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.02
Rot. Bonds3

About 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid

5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid (PubChem CID 135300447) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid
PubChem CID135300447
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C20H18N4O3/c25-19(24-8-2-1-3-9-24)13-4-6-15-17(10-13)23-18(12-22-15)14-5-7-16(20(26)27)21-11-14/h4-7,10-12H,1-3,8-9H2,(H,26,27)
InChIKeyABHPFJZVQBSOIS-UHFFFAOYSA-N
XLogP3.02
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quinoxaline-6-carboxylic acid
CID 674813
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188
Piperidin-1-yl-(3-pyridin-3-ylquinoxalin-6-yl)methanone
CID 135300353
Piperidin-1-yl-(3-pyridin-2-ylquinoxalin-6-yl)methanone
CID 135300396
Piperidin-1-yl-(3-pyridin-4-ylquinoxalin-6-yl)methanone
CID 135300410
Methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
CID 146476157
Methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
CID 146476164
6-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 68288237
[3-(6-Fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135290858
1,10-Phenanthroline-2-carboxylic acid
CID 99561
3-Phenylquinoxaline-6-carboxylic acid
CID 343552
(2-Phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300408

Frequently Asked Questions

What is the IUPAC name of 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid (CID 135300447) is 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is ABHPFJZVQBSOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(24-8-2-1-3-9-24)13-4-6-15-17(10-13)23-18(12-22-15)14-5-7-16(20(26)27)21-11-14/h4-7,10-12H,1-3,8-9H2,(H,26,27).
What are the key properties of 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid?
5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 135300447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).