N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide

C22H24ClN5O3S — CID 42957437

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ccc(Cl)cn4)CC3)cccc2c1
InChIInChI=1S/C22H24ClN5O3S/c1-15-12-17-4-3-5-19(21(17)25-13-15)32(30,31)28-10-8-27(9-11-28)16(2)22(29)26-20-7-6-18(23)14-24-20/h3-7,12-14,16H,8-11H2,1-2H3,(H,24,26,29)
InChIKeyQCLNBNZHROWMNG-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.93
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide

N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 42957437) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
PubChem CID42957437
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ccc(Cl)cn4)CC3)cccc2c1
InChIInChI=1S/C22H24ClN5O3S/c1-15-12-17-4-3-5-19(21(17)25-13-15)32(30,31)28-10-8-27(9-11-28)16(2)22(29)26-20-7-6-18(23)14-24-20/h3-7,12-14,16H,8-11H2,1-2H3,(H,24,26,29)
InChIKeyQCLNBNZHROWMNG-UHFFFAOYSA-N
XLogP2.93
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51119868
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
2-(4-chlorophenoxy)-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone
CID 55615112
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 43074722
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
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide (CID 42957437) is N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide is Cc1cnc2c(S(=O)(=O)N3CCN(C(C)C(=O)Nc4ccc(Cl)cn4)CC3)cccc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is QCLNBNZHROWMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c1-15-12-17-4-3-5-19(21(17)25-13-15)32(30,31)28-10-8-27(9-11-28)16(2)22(29)26-20-7-6-18(23)14-24-20/h3-7,12-14,16H,8-11H2,1-2H3,(H,24,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 473.99 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 42957437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).