2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid

C16H11N3O3 — CID 58002076

IUPAC2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid
SMILESNC(=O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cn1
InChIInChI=1S/C16H11N3O3/c17-15(20)13-6-5-9(8-18-13)14-7-11(16(21)22)10-3-1-2-4-12(10)19-14/h1-8H,(H2,17,20)(H,21,22)
InChIKeyJVPFKOMISXNCCN-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.09
Rot. Bonds3

About 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid

2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid (PubChem CID 58002076) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid
PubChem CID58002076
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid
SMILESNC(=O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cn1
InChIInChI=1S/C16H11N3O3/c17-15(20)13-6-5-9(8-18-13)14-7-11(16(21)22)10-3-1-2-4-12(10)19-14/h1-8H,(H2,17,20)(H,21,22)
InChIKeyJVPFKOMISXNCCN-UHFFFAOYSA-N
XLogP2.09
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
2-(4-isocyanatophenyl)quinoline-4-carboxamide
CID 169352677

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid (CID 58002076) is 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid is NC(=O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cn1.
What is the InChIKey of 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid?
The InChIKey is JVPFKOMISXNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c17-15(20)13-6-5-9(8-18-13)14-7-11(16(21)22)10-3-1-2-4-12(10)19-14/h1-8H,(H2,17,20)(H,21,22).
What are the key properties of 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid?
2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamoyl-3-pyridinyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 58002076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).