N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C27H26N4O2S — CID 25397691

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C27H26N4O2S/c32-26(28-19-7-2-1-3-8-19)18-31-14-12-20(13-15-31)29-27(33)22-17-24(25-11-6-16-34-25)30-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,28,32)(H,29,33)
InChIKeyAWFKGPGPKOJUMW-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.80
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 25397691) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID25397691
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1)Nc1ccccc1
InChIInChI=1S/C27H26N4O2S/c32-26(28-19-7-2-1-3-8-19)18-31-14-12-20(13-15-31)29-27(33)22-17-24(25-11-6-16-34-25)30-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,28,32)(H,29,33)
InChIKeyAWFKGPGPKOJUMW-UHFFFAOYSA-N
XLogP4.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-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

Related Compounds

N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166257008
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 25397691) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(CN1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is AWFKGPGPKOJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c32-26(28-19-7-2-1-3-8-19)18-31-14-12-20(13-15-31)29-27(33)22-17-24(25-11-6-16-34-25)30-23-10-5-4-9-21(22)23/h1-11,16-17,20H,12-15,18H2,(H,28,32)(H,29,33).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 25397691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).