8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid

C16H19NO3 — CID 5079636

IUPAC8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)c2cccc(OC)c2n1
InChIInChI=1S/C16H19NO3/c1-4-10(5-2)13-9-12(16(18)19)11-7-6-8-14(20-3)15(11)17-13/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyPFOOBEFMLKNWRN-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.85
Rot. Bonds5

About 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid

8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid (PubChem CID 5079636) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
PubChem CID5079636
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)c2cccc(OC)c2n1
InChIInChI=1S/C16H19NO3/c1-4-10(5-2)13-9-12(16(18)19)11-7-6-8-14(20-3)15(11)17-13/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyPFOOBEFMLKNWRN-UHFFFAOYSA-N
XLogP3.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139876
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-[(8-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]benzoic acid
CID 46302924
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
1-ethylperoxy-6,7-dimethoxyphenanthrene-9-carboxylic acid
CID 141227516

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid (CID 5079636) is 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid is CCC(CC)c1cc(C(=O)O)c2cccc(OC)c2n1.
What is the InChIKey of 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid?
The InChIKey is PFOOBEFMLKNWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-10(5-2)13-9-12(16(18)19)11-7-6-8-14(20-3)15(11)17-13/h6-10H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid?
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 5079636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).