8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid

C20H13N3O3 — CID 118902335

IUPAC8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NC(=O)c3ccc4ccccc4n3)c2n1
InChIInChI=1S/C20H13N3O3/c24-19(16-10-8-12-4-1-2-6-14(12)21-16)23-15-7-3-5-13-9-11-17(20(25)26)22-18(13)15/h1-11H,(H,23,24)(H,25,26)
InChIKeyLADCLIDLXLHLQD-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.73
Rot. Bonds3

About 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid

8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid (PubChem CID 118902335) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
PubChem CID118902335
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NC(=O)c3ccc4ccccc4n3)c2n1
InChIInChI=1S/C20H13N3O3/c24-19(16-10-8-12-4-1-2-6-14(12)21-16)23-15-7-3-5-13-9-11-17(20(25)26)22-18(13)15/h1-11H,(H,23,24)(H,25,26)
InChIKeyLADCLIDLXLHLQD-UHFFFAOYSA-N
XLogP3.73
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid
CID 131974287
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195
methanesulfonic acid;quinoline-2-carboxylic acid;hydrate
CID 172686492

Frequently Asked Questions

What is the IUPAC name of 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid?
The IUPAC name of 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid (CID 118902335) is 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid is O=C(O)c1ccc2cccc(NC(=O)c3ccc4ccccc4n3)c2n1.
What is the InChIKey of 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid?
The InChIKey is LADCLIDLXLHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-19(16-10-8-12-4-1-2-6-14(12)21-16)23-15-7-3-5-13-9-11-17(20(25)26)22-18(13)15/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid?
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 118902335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).