N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

C22H24N4O2S — CID 19357177

IUPACN-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2cc1NC(=O)N1CCN(c2ccccc2SC)CC1
InChIInChI=1S/C22H24N4O2S/c1-28-21-18(15-16-7-3-4-8-17(16)23-21)24-22(27)26-13-11-25(12-14-26)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyHSIVOPLGDJZOFC-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.32
Rot. Bonds4

About N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 19357177) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID19357177
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2cc1NC(=O)N1CCN(c2ccccc2SC)CC1
InChIInChI=1S/C22H24N4O2S/c1-28-21-18(15-16-7-3-4-8-17(16)23-21)24-22(27)26-13-11-25(12-14-26)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyHSIVOPLGDJZOFC-UHFFFAOYSA-N
XLogP4.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-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-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277
methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate
CID 22939042
N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663153
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
N-(4-tert-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 3690834
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(2-methylsulfanylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3497239
methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
CID 144655686
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide (CID 19357177) is N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide is COc1nc2ccccc2cc1NC(=O)N1CCN(c2ccccc2SC)CC1.
What is the InChIKey of N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is HSIVOPLGDJZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-28-21-18(15-16-7-3-4-8-17(16)23-21)24-22(27)26-13-11-25(12-14-26)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).