7-butoxy-4-oxoquinolizine-3-carboxylic acid

C14H15NO4 — CID 15632096

IUPAC7-butoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCCCCOc1ccc2ccc(C(=O)O)c(=O)n2c1
InChIInChI=1S/C14H15NO4/c1-2-3-8-19-11-6-4-10-5-7-12(14(17)18)13(16)15(10)9-11/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyDAESPKNDNPWXHW-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.18
Rot. Bonds5

About 7-butoxy-4-oxoquinolizine-3-carboxylic acid

7-butoxy-4-oxoquinolizine-3-carboxylic acid (PubChem CID 15632096) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-butoxy-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name7-butoxy-4-oxoquinolizine-3-carboxylic acid
PubChem CID15632096
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name7-butoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCCCCOc1ccc2ccc(C(=O)O)c(=O)n2c1
InChIInChI=1S/C14H15NO4/c1-2-3-8-19-11-6-4-10-5-7-12(14(17)18)13(16)15(10)9-11/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyDAESPKNDNPWXHW-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-butoxy-4-oxoquinolizine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 21364113
4-decoxy-2-hexoxybenzoic acid
CID 141156533
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
2-pentoxyterephthalic acid
CID 86182031
2-butoxy-4-hydroxybenzoic acid
CID 70316659
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
2-amino-5-heptoxybenzoic acid
CID 54888058
2,5-didodecoxybenzoic acid
CID 168826367
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
acetic acid;butoxybenzene
CID 162338086
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 7-butoxy-4-oxoquinolizine-3-carboxylic acid (CID 15632096) is 7-butoxy-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 7-butoxy-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 7-butoxy-4-oxoquinolizine-3-carboxylic acid is CCCCOc1ccc2ccc(C(=O)O)c(=O)n2c1.
What is the InChIKey of 7-butoxy-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is DAESPKNDNPWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-3-8-19-11-6-4-10-5-7-12(14(17)18)13(16)15(10)9-11/h4-7,9H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 7-butoxy-4-oxoquinolizine-3-carboxylic acid?
7-butoxy-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 15632096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).