1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid

C16H21N3O2 — CID 70354342

IUPAC1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid
SMILESCCN1CCN(N2CC(C(=O)O)=Cc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-2-17-7-9-18(10-8-17)19-12-14(16(20)21)11-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)
InChIKeyUBICBAJWTLBOQR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.53
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid

1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid (PubChem CID 70354342) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid
PubChem CID70354342
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid
SMILESCCN1CCN(N2CC(C(=O)O)=Cc3ccccc32)CC1
InChIInChI=1S/C16H21N3O2/c1-2-17-7-9-18(10-8-17)19-12-14(16(20)21)11-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)
InChIKeyUBICBAJWTLBOQR-UHFFFAOYSA-N
XLogP1.53
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid (CID 70354342) is 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid is CCN1CCN(N2CC(C(=O)O)=Cc3ccccc32)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid?
The InChIKey is UBICBAJWTLBOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-17-7-9-18(10-8-17)19-12-14(16(20)21)11-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21).
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid?
1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70354342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).