5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

C16H13N3O3 — CID 82212882

IUPAC5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESNc1cccc2c1c(=O)c(C(=O)O)cn2Cc1ccccn1
InChIInChI=1S/C16H13N3O3/c17-12-5-3-6-13-14(12)15(20)11(16(21)22)9-19(13)8-10-4-1-2-7-18-10/h1-7,9H,8,17H2,(H,21,22)
InChIKeyDBHKZRUZJPYIDM-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 82212882) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
PubChem CID82212882
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESNc1cccc2c1c(=O)c(C(=O)O)cn2Cc1ccccn1
InChIInChI=1S/C16H13N3O3/c17-12-5-3-6-13-14(12)15(20)11(16(21)22)9-19(13)8-10-4-1-2-7-18-10/h1-7,9H,8,17H2,(H,21,22)
InChIKeyDBHKZRUZJPYIDM-UHFFFAOYSA-N
XLogP1.73
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
CID 82212891
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(pyridin-2-ylmethyl)indol-3-yl]ethane-1,2-dione
CID 506438
2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541256
3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
2-[2-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]phenyl]acetic acid
CID 172686317
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
CID 77257932
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
CID 175130499
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (CID 82212882) is 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is Nc1cccc2c1c(=O)c(C(=O)O)cn2Cc1ccccn1.
What is the InChIKey of 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is DBHKZRUZJPYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-12-5-3-6-13-14(12)15(20)11(16(21)22)9-19(13)8-10-4-1-2-7-18-10/h1-7,9H,8,17H2,(H,21,22).
What are the key properties of 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 82212882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).