4-butoxyquinoline-3-carboxylic acid

C14H15NO3 — CID 61339357

IUPAC4-butoxyquinoline-3-carboxylic acid
SMILESCCCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H15NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyUPTJFGIAJDWLPY-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.11
Rot. Bonds5

About 4-butoxyquinoline-3-carboxylic acid

4-butoxyquinoline-3-carboxylic acid (PubChem CID 61339357) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-butoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-butoxyquinoline-3-carboxylic acid
PubChem CID61339357
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-butoxyquinoline-3-carboxylic acid
SMILESCCCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H15NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyUPTJFGIAJDWLPY-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxyquinoline-3-carboxylic acid
CID 61339358
4-but-3-enoxyquinoline-3-carboxylic acid
CID 61341893
4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
CID 102739940
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-(3-methoxypropylsulfanyl)quinoline-3-carboxylic acid
CID 63858059
4-(2-butoxyethoxy)quinolin-3-amine
CID 103963666
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980

Frequently Asked Questions

What is the IUPAC name of 4-butoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-butoxyquinoline-3-carboxylic acid (CID 61339357) is 4-butoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-butoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-butoxyquinoline-3-carboxylic acid is CCCCOc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-butoxyquinoline-3-carboxylic acid?
The InChIKey is UPTJFGIAJDWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 4-butoxyquinoline-3-carboxylic acid?
4-butoxyquinoline-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 61339357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).