6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid

C15H17NO3 — CID 102941998

IUPAC6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
SMILESCCC(C)c1ccc2nc(C(=O)O)cc(OC)c2c1
InChIInChI=1S/C15H17NO3/c1-4-9(2)10-5-6-12-11(7-10)14(19-3)8-13(16-12)15(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyZLHXUCUYUUZJLU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.46
Rot. Bonds4

About 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid

6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid (PubChem CID 102941998) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
PubChem CID102941998
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
SMILESCCC(C)c1ccc2nc(C(=O)O)cc(OC)c2c1
InChIInChI=1S/C15H17NO3/c1-4-9(2)10-5-6-12-11(7-10)14(19-3)8-13(16-12)15(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyZLHXUCUYUUZJLU-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
methyl 6-butan-2-yl-4-chloroquinoline-2-carboxylate
CID 63376606
6-butan-2-yl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid
CID 4023942
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
CID 84641744
5-[(2S)-butan-2-yl]-2,3-dimethoxyphenol
CID 163966789

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid (CID 102941998) is 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid is CCC(C)c1ccc2nc(C(=O)O)cc(OC)c2c1.
What is the InChIKey of 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid?
The InChIKey is ZLHXUCUYUUZJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-9(2)10-5-6-12-11(7-10)14(19-3)8-13(16-12)15(17)18/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid?
6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 102941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).