6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide

C23H21Cl2FN4O3 — CID 146458048

IUPAC6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C23H21Cl2FN4O3/c24-15-2-6-20-14(11-15)1-5-21(28-20)23(32)29-30-9-7-16(8-10-30)27-22(31)13-33-17-3-4-18(25)19(26)12-17/h1-6,11-12,16H,7-10,13H2,(H,27,31)(H,29,32)
InChIKeyMKQUXIKMHCHYPC-UHFFFAOYSA-N
MW491.35 g/mol
LogP3.99
Rot. Bonds6

About 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide

6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide (PubChem CID 146458048) has the molecular formula C23H21Cl2FN4O3 and a molecular weight of 491.35 g/mol. Its IUPAC name is 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
PubChem CID146458048
Molecular FormulaC23H21Cl2FN4O3
Molecular Weight491.35 g/mol
Exact Mass490.10
IUPAC Name6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C23H21Cl2FN4O3/c24-15-2-6-20-14(11-15)1-5-21(28-20)23(32)29-30-9-7-16(8-10-30)27-22(31)13-33-17-3-4-18(25)19(26)12-17/h1-6,11-12,16H,7-10,13H2,(H,27,31)(H,29,32)
InChIKeyMKQUXIKMHCHYPC-UHFFFAOYSA-N
XLogP3.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-N-[4-[3-(4-chloro-3-fluorophenoxy)propylamino]piperidin-1-yl]quinoline-2-carboxamide
CID 166828255
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
6-chloro-N-[4-[(3S)-4-(4-chloro-3-fluorophenoxy)-3-hydroxybutyl]piperidin-1-yl]quinoline-2-carboxamide;sulfane
CID 163693863
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
CID 138678465
2-chloro-5-[2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]amino]-2-oxoethoxy]-N-hydroxybenzeneamine oxide
CID 163994338
N-(5-chloro-1,3-benzothiazol-2-yl)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxamide
CID 167345608
2-(4-chloro-3-fluorophenoxy)-N-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
CID 175221856
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
CID 146457770
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)propyl]pyrrolidin-3-yl]quinoline-2-carboxamide;1-[3-(4-chloro-3-fluorophenoxy)propyl]pyrrolidin-3-amine;6-chloroquinoline-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161219976

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide (CID 146458048) is 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCN(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide?
The InChIKey is MKQUXIKMHCHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN4O3/c24-15-2-6-20-14(11-15)1-5-21(28-20)23(32)29-30-9-7-16(8-10-30)27-22(31)13-33-17-3-4-18(25)19(26)12-17/h1-6,11-12,16H,7-10,13H2,(H,27,31)(H,29,32).
What are the key properties of 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide?
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide has a molecular weight of 491.35 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide is sourced from PubChem (CID 146458048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).