5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid

C23H23N3O3 — CID 129028022

IUPAC5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid
SMILESCCCCOc1ccc(C)c2nc(-c3nc4ccccn4c3C)cc(C(=O)O)c12
InChIInChI=1S/C23H23N3O3/c1-4-5-12-29-18-10-9-14(2)21-20(18)16(23(27)28)13-17(24-21)22-15(3)26-11-7-6-8-19(26)25-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28)
InChIKeyGHOJERNKXMYTGS-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.04
Rot. Bonds6

About 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid

5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid (PubChem CID 129028022) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid
PubChem CID129028022
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid
SMILESCCCCOc1ccc(C)c2nc(-c3nc4ccccn4c3C)cc(C(=O)O)c12
InChIInChI=1S/C23H23N3O3/c1-4-5-12-29-18-10-9-14(2)21-20(18)16(23(27)28)13-17(24-21)22-15(3)26-11-7-6-8-19(26)25-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28)
InChIKeyGHOJERNKXMYTGS-UHFFFAOYSA-N
XLogP5.04
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-3-yl)-5-butoxy-8-methylquinoline-4-carboxylic acid
CID 129027713
2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027759
8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027760
2-(2-butoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139746
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(3-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027767
8-methyl-2-(1-methylbenzimidazol-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid
CID 129027681
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
CID 67717536
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid (CID 129028022) is 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid is CCCCOc1ccc(C)c2nc(-c3nc4ccccn4c3C)cc(C(=O)O)c12.
What is the InChIKey of 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid?
The InChIKey is GHOJERNKXMYTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-5-12-29-18-10-9-14(2)21-20(18)16(23(27)28)13-17(24-21)22-15(3)26-11-7-6-8-19(26)25-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28).
What are the key properties of 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid?
5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 129028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).