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

C23H23ClN4O3 — CID 20933082

IUPAC1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)CC1
InChIInChI=1S/C23H23ClN4O3/c24-17-5-7-18(8-6-17)26-21(29)14-31-19-3-1-2-15-4-9-20(27-22(15)19)28-12-10-16(11-13-28)23(25)30/h1-9,16H,10-14H2,(H2,25,30)(H,26,29)
InChIKeyXYJPFWIWMIUSSM-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.61
Rot. Bonds6

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

1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 20933082) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID20933082
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)CC1
InChIInChI=1S/C23H23ClN4O3/c24-17-5-7-18(8-6-17)26-21(29)14-31-19-3-1-2-15-4-9-20(27-22(15)19)28-12-10-16(11-13-28)23(25)30/h1-9,16H,10-14H2,(H2,25,30)(H,26,29)
InChIKeyXYJPFWIWMIUSSM-UHFFFAOYSA-N
XLogP3.61
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 16801829
N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide
CID 16820453
1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 18570691
2-(2-morpholin-4-ylquinolin-8-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16896792
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
CID 16812630
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095

Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (CID 20933082) is 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)CC1.
What is the InChIKey of 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is XYJPFWIWMIUSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-17-5-7-18(8-6-17)26-21(29)14-31-19-3-1-2-15-4-9-20(27-22(15)19)28-12-10-16(11-13-28)23(25)30/h1-9,16H,10-14H2,(H2,25,30)(H,26,29).
What are the key properties of 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20933082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).