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

C25H28N4O3 — CID 16801829

IUPAC1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c(C)c1
InChIInChI=1S/C25H28N4O3/c1-16-6-8-20(17(2)14-16)27-23(30)15-32-21-5-3-4-18-7-9-22(28-24(18)21)29-12-10-19(11-13-29)25(26)31/h3-9,14,19H,10-13,15H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyKXIRDMWHNOJJGR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.57
Rot. Bonds6

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

1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 16801829) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID16801829
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c(C)c1
InChIInChI=1S/C25H28N4O3/c1-16-6-8-20(17(2)14-16)27-23(30)15-32-21-5-3-4-18-7-9-22(28-24(18)21)29-12-10-19(11-13-29)25(26)31/h3-9,14,19H,10-13,15H2,1-2H3,(H2,26,31)(H,27,30)
InChIKeyKXIRDMWHNOJJGR-UHFFFAOYSA-N
XLogP3.57
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide (CID 16801829) is 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c(C)c1.
What is the InChIKey of 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is KXIRDMWHNOJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-6-8-20(17(2)14-16)27-23(30)15-32-21-5-3-4-18-7-9-22(28-24(18)21)29-12-10-19(11-13-29)25(26)31/h3-9,14,19H,10-13,15H2,1-2H3,(H2,26,31)(H,27,30).
What are the key properties of 1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide?
1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.57, 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-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16801829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).