4-but-3-enoxyquinoline-3-carboxylic acid

C14H13NO3 — CID 61341893

IUPAC4-but-3-enoxyquinoline-3-carboxylic acid
SMILESC=CCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H13NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h2,4-7,9H,1,3,8H2,(H,16,17)
InChIKeyQMVHWCZXYRLXHD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.89
Rot. Bonds5

About 4-but-3-enoxyquinoline-3-carboxylic acid

4-but-3-enoxyquinoline-3-carboxylic acid (PubChem CID 61341893) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-but-3-enoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-but-3-enoxyquinoline-3-carboxylic acid
PubChem CID61341893
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-but-3-enoxyquinoline-3-carboxylic acid
SMILESC=CCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H13NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h2,4-7,9H,1,3,8H2,(H,16,17)
InChIKeyQMVHWCZXYRLXHD-UHFFFAOYSA-N
XLogP2.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-but-3-enoxyquinoline-3-carboxylic acid (CID 61341893) is 4-but-3-enoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-but-3-enoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-but-3-enoxyquinoline-3-carboxylic acid is C=CCCOc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-but-3-enoxyquinoline-3-carboxylic acid?
The InChIKey is QMVHWCZXYRLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-3-8-18-13-10-6-4-5-7-12(10)15-9-11(13)14(16)17/h2,4-7,9H,1,3,8H2,(H,16,17).
What are the key properties of 4-but-3-enoxyquinoline-3-carboxylic acid?
4-but-3-enoxyquinoline-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 61341893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).