1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide

C23H22F2N4O3 — CID 16826763

IUPAC1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4F)c3n2)CC1
InChIInChI=1S/C23H22F2N4O3/c24-16-5-6-18(17(25)12-16)27-21(30)13-32-19-3-1-2-14-4-7-20(28-22(14)19)29-10-8-15(9-11-29)23(26)31/h1-7,12,15H,8-11,13H2,(H2,26,31)(H,27,30)
InChIKeyRIRVYPLCLDOZHD-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.23
Rot. Bonds6

About 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide

1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 16826763) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID16826763
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4F)c3n2)CC1
InChIInChI=1S/C23H22F2N4O3/c24-16-5-6-18(17(25)12-16)27-21(30)13-32-19-3-1-2-14-4-7-20(28-22(14)19)29-10-8-15(9-11-29)23(26)31/h1-7,12,15H,8-11,13H2,(H2,26,31)(H,27,30)
InChIKeyRIRVYPLCLDOZHD-UHFFFAOYSA-N
XLogP3.23
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (CID 16826763) is 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4F)c3n2)CC1.
What is the InChIKey of 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is RIRVYPLCLDOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c24-16-5-6-18(17(25)12-16)27-21(30)13-32-19-3-1-2-14-4-7-20(28-22(14)19)29-10-8-15(9-11-29)23(26)31/h1-7,12,15H,8-11,13H2,(H2,26,31)(H,27,30).
What are the key properties of 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-(2,4-difluoroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16826763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).