4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid

C16H13N3O2 — CID 107585776

IUPAC4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid
SMILESCc1cncc(Nc2cc(C(=O)O)nc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-10-6-11(9-17-8-10)18-14-7-15(16(20)21)19-13-5-3-2-4-12(13)14/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyNLQNHBSQUIADEL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.38
Rot. Bonds3

About 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid

4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid (PubChem CID 107585776) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid
PubChem CID107585776
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid
SMILESCc1cncc(Nc2cc(C(=O)O)nc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-10-6-11(9-17-8-10)18-14-7-15(16(20)21)19-13-5-3-2-4-12(13)14/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyNLQNHBSQUIADEL-UHFFFAOYSA-N
XLogP3.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
6-methyl-3-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 69237499
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
CID 79779480
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid (CID 107585776) is 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid is Cc1cncc(Nc2cc(C(=O)O)nc3ccccc23)c1.
What is the InChIKey of 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid?
The InChIKey is NLQNHBSQUIADEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-6-11(9-17-8-10)18-14-7-15(16(20)21)19-13-5-3-2-4-12(13)14/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid?
4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 107585776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).