2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide

C21H24N6O3S — CID 51119868

IUPAC2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ncccn4)CC3)cccc2c1
InChIInChI=1S/C21H24N6O3S/c1-15-13-17-5-3-6-18(19(17)24-14-15)31(29,30)27-11-9-26(10-12-27)16(2)20(28)25-21-22-7-4-8-23-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25,28)
InChIKeySQDBLJRKLYZUIW-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide

2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 51119868) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID51119868
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ncccn4)CC3)cccc2c1
InChIInChI=1S/C21H24N6O3S/c1-15-13-17-5-3-6-18(19(17)24-14-15)31(29,30)27-11-9-26(10-12-27)16(2)20(28)25-21-22-7-4-8-23-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25,28)
InChIKeySQDBLJRKLYZUIW-UHFFFAOYSA-N
XLogP1.67
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 42957437
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 43074722
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
N-(2-ethylphenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37089341
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 43074720
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 51119868) is 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide is Cc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ncccn4)CC3)cccc2c1.
What is the InChIKey of 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is SQDBLJRKLYZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-15-13-17-5-3-6-18(19(17)24-14-15)31(29,30)27-11-9-26(10-12-27)16(2)20(28)25-21-22-7-4-8-23-21/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25,28).
What are the key properties of 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 440.53 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 51119868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).