1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C14H19NO3 — CID 22266516

IUPAC1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCCn1c2c(cc(C(=O)O)c1=O)CCCC2
InChIInChI=1S/C14H19NO3/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(13(15)16)14(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyFZOATIKLEKEZNU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds4

About 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 22266516) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID22266516
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCCn1c2c(cc(C(=O)O)c1=O)CCCC2
InChIInChI=1S/C14H19NO3/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(13(15)16)14(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyFZOATIKLEKEZNU-UHFFFAOYSA-N
XLogP2.23
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 22266516) is 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CCCCn1c2c(cc(C(=O)O)c1=O)CCCC2.
What is the InChIKey of 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is FZOATIKLEKEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(13(15)16)14(17)18/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 22266516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).