4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride

C18H25ClN4O3S — CID 119293056

IUPAC4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCCN)CC3)cccc2c1.Cl
InChIInChI=1S/C18H24N4O3S.ClH/c1-14-12-15-4-2-5-16(18(15)20-13-14)26(24,25)22-10-8-21(9-11-22)17(23)6-3-7-19;/h2,4-5,12-13H,3,6-11,19H2,1H3;1H
InChIKeyCSVCHBIPISPEPV-UHFFFAOYSA-N
MW412.94 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride

4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 119293056) has the molecular formula C18H25ClN4O3S and a molecular weight of 412.94 g/mol. Its IUPAC name is 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
PubChem CID119293056
Molecular FormulaC18H25ClN4O3S
Molecular Weight412.94 g/mol
Exact Mass412.13
IUPAC Name4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCCN)CC3)cccc2c1.Cl
InChIInChI=1S/C18H24N4O3S.ClH/c1-14-12-15-4-2-5-16(18(15)20-13-14)26(24,25)22-10-8-21(9-11-22)17(23)6-3-7-19;/h2,4-5,12-13H,3,6-11,19H2,1H3;1H
InChIKeyCSVCHBIPISPEPV-UHFFFAOYSA-N
XLogP1.54
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55886043
3-[3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 55614987
2-(4-chlorophenoxy)-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone
CID 55615112
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
(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
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride (CID 119293056) is 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride is Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCCN)CC3)cccc2c1.Cl.
What is the InChIKey of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is CSVCHBIPISPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S.ClH/c1-14-12-15-4-2-5-16(18(15)20-13-14)26(24,25)22-10-8-21(9-11-22)17(23)6-3-7-19;/h2,4-5,12-13H,3,6-11,19H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride?
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119293056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).