2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid

C16H18N2O3 — CID 847940

IUPAC2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid
SMILESCCN(CC)C(=O)Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-3-18(4-2)15(19)10-11-9-13(16(20)21)12-7-5-6-8-14(12)17-11/h5-9H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyLDKRGZXVMWXCDL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid

2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid (PubChem CID 847940) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid
PubChem CID847940
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid
SMILESCCN(CC)C(=O)Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-3-18(4-2)15(19)10-11-9-13(16(20)21)12-7-5-6-8-14(12)17-11/h5-9H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyLDKRGZXVMWXCDL-UHFFFAOYSA-N
XLogP2.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid (CID 847940) is 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid is CCN(CC)C(=O)Cc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid?
The InChIKey is LDKRGZXVMWXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(4-2)15(19)10-11-9-13(16(20)21)12-7-5-6-8-14(12)17-11/h5-9H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid?
2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 847940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).