4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide

C20H22N4OS — CID 70747093

IUPAC4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2cc(CN3CCN(C(N)=O)CC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H22N4OS/c1-14-4-5-15-12-16(13-23-6-8-24(9-7-23)20(21)25)19(22-17(15)11-14)18-3-2-10-26-18/h2-5,10-12H,6-9,13H2,1H3,(H2,21,25)
InChIKeyAJNIEHBHSBZJBJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.47
Rot. Bonds3

About 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide

4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 70747093) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID70747093
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2cc(CN3CCN(C(N)=O)CC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C20H22N4OS/c1-14-4-5-15-12-16(13-23-6-8-24(9-7-23)20(21)25)19(22-17(15)11-14)18-3-2-10-26-18/h2-5,10-12H,6-9,13H2,1H3,(H2,21,25)
InChIKeyAJNIEHBHSBZJBJ-UHFFFAOYSA-N
XLogP3.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-1-yl]propan-1-ol
CID 70728187
2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
CID 95869483
[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 70762977
1-(2,5-dimethylphenyl)-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 30126615
(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide
CID 95880650
2-(4-methylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609977
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55746218
(2-chloroquinolin-6-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55824716
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide (CID 70747093) is 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide is Cc1ccc2cc(CN3CCN(C(N)=O)CC3)c(-c3cccs3)nc2c1.
What is the InChIKey of 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AJNIEHBHSBZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-4-5-15-12-16(13-23-6-8-24(9-7-23)20(21)25)19(22-17(15)11-14)18-3-2-10-26-18/h2-5,10-12H,6-9,13H2,1H3,(H2,21,25).
What are the key properties of 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide?
4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 70747093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).