6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid

C18H17N3O2 — CID 167911650

IUPAC6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2cccc3cccnc23)n1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15(18(22)23)17(20-11)21-12(2)14-7-3-5-13-6-4-10-19-16(13)14/h3-10,12H,1-2H3,(H,20,21)(H,22,23)
InChIKeyXHUIXEAKXHDHIQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.81
Rot. Bonds4

About 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid

6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid (PubChem CID 167911650) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid
PubChem CID167911650
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2cccc3cccnc23)n1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15(18(22)23)17(20-11)21-12(2)14-7-3-5-13-6-4-10-19-16(13)14/h3-10,12H,1-2H3,(H,20,21)(H,22,23)
InChIKeyXHUIXEAKXHDHIQ-UHFFFAOYSA-N
XLogP3.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 62711356
2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 167821100
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63839654
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid
CID 123155034
palladium;quinoline-8-carboxylic acid
CID 174945118
[(2,6-dimethyl-3-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105327389
(2S)-2-aminopropanoic acid;cobalt;quinolin-8-ol
CID 11982278
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid (CID 167911650) is 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NC(C)c2cccc3cccnc23)n1.
What is the InChIKey of 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid?
The InChIKey is XHUIXEAKXHDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-15(18(22)23)17(20-11)21-12(2)14-7-3-5-13-6-4-10-19-16(13)14/h3-10,12H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid?
6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 167911650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).