2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid

C15H17NO4 — CID 141025690

IUPAC2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
SMILESCCCCCOc1cccc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO4/c1-2-3-4-8-20-12-7-5-6-10-9-11(15(18)19)14(17)16-13(10)12/h5-7,9H,2-4,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyORCRENOZAMCHBZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds6

About 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid

2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid (PubChem CID 141025690) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
PubChem CID141025690
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
SMILESCCCCCOc1cccc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO4/c1-2-3-4-8-20-12-7-5-6-10-9-11(15(18)19)14(17)16-13(10)12/h5-7,9H,2-4,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyORCRENOZAMCHBZ-UHFFFAOYSA-N
XLogP2.80
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
2-pentoxybenzoic acid;hydrochloride
CID 70416265
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
8-butoxy-2-oxochromene-3-carboxylic acid;hydrochloride
CID 170307373
3-hexoxy-2-methylbenzoic acid
CID 82826739
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11573063
2-amino-3-octoxybenzoic acid
CID 113333300
2,5-dipentoxyterephthalic acid;dihydrochloride
CID 70289838

Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid (CID 141025690) is 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid is CCCCCOc1cccc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid?
The InChIKey is ORCRENOZAMCHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-3-4-8-20-12-7-5-6-10-9-11(15(18)19)14(17)16-13(10)12/h5-7,9H,2-4,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid?
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 141025690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).