azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid

C16H14N3O4+ — CID 101438368

IUPACazanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.[NH4+]
InChIInChI=1S/C16H10N2O4.H3N/c19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;/h1-8H,(H,19,20)(H,21,22);1H3/p+1
InChIKeyIOQVDQMGPFHQKZ-UHFFFAOYSA-O
MW312.31 g/mol
LogP3.07
Rot. Bonds3

About azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid

azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid (PubChem CID 101438368) has the molecular formula C16H14N3O4+ and a molecular weight of 312.31 g/mol. Its IUPAC name is azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Nameazanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
PubChem CID101438368
Molecular FormulaC16H14N3O4+
Molecular Weight312.31 g/mol
Exact Mass312.10
IUPAC Nameazanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.[NH4+]
InChIInChI=1S/C16H10N2O4.H3N/c19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;/h1-8H,(H,19,20)(H,21,22);1H3/p+1
InChIKeyIOQVDQMGPFHQKZ-UHFFFAOYSA-O
XLogP3.07
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
CID 58321412
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498

Frequently Asked Questions

What is the IUPAC name of azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid?
The IUPAC name of azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid (CID 101438368) is azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid.
What is the SMILES notation for azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid?
The canonical SMILES for azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)c3ccccc3n2)c1.[NH4+].
What is the InChIKey of azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid?
The InChIKey is IOQVDQMGPFHQKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H10N2O4.H3N/c19-15(20)9-5-6-17-13(7-9)14-8-11(16(21)22)10-3-1-2-4-12(10)18-14;/h1-8H,(H,19,20)(H,21,22);1H3/p+1.
What are the key properties of azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid?
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid has a molecular weight of 312.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 101438368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).