1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one

C27H27N3O3S — CID 55886043

IUPAC1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCc4ccc5ccccc5c4)CC3)cccc2c1
InChIInChI=1S/C27H27N3O3S/c1-20-17-24-7-4-8-25(27(24)28-19-20)34(32,33)30-15-13-29(14-16-30)26(31)12-10-21-9-11-22-5-2-3-6-23(22)18-21/h2-9,11,17-19H,10,12-16H2,1H3
InChIKeyLCHLNSGKIDNXNW-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.16
Rot. Bonds5

About 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one

1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one (PubChem CID 55886043) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
PubChem CID55886043
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCc4ccc5ccccc5c4)CC3)cccc2c1
InChIInChI=1S/C27H27N3O3S/c1-20-17-24-7-4-8-25(27(24)28-19-20)34(32,33)30-15-13-29(14-16-30)26(31)12-10-21-9-11-22-5-2-3-6-23(22)18-21/h2-9,11,17-19H,10,12-16H2,1H3
InChIKeyLCHLNSGKIDNXNW-UHFFFAOYSA-N
XLogP4.16
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one with MolForge

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Related Compounds

4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119293056
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60520755
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
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55854604
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 52687597
(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
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one (CID 55886043) is 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one is Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCc4ccc5ccccc5c4)CC3)cccc2c1.
What is the InChIKey of 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The InChIKey is LCHLNSGKIDNXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-20-17-24-7-4-8-25(27(24)28-19-20)34(32,33)30-15-13-29(14-16-30)26(31)12-10-21-9-11-22-5-2-3-6-23(22)18-21/h2-9,11,17-19H,10,12-16H2,1H3.
What are the key properties of 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one has a molecular weight of 473.60 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 55886043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).