(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C18H23N3O3S — CID 70740250

IUPAC(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H23N3O3S/c1-4-14-5-6-17-15(12-14)16(11-13(2)19-17)18(22)20-7-9-21(10-8-20)25(3,23)24/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeySKPIGPNOZDKQRD-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.82
Rot. Bonds3

About (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 70740250) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID70740250
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H23N3O3S/c1-4-14-5-6-17-15(12-14)16(11-13(2)19-17)18(22)20-7-9-21(10-8-20)25(3,23)24/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeySKPIGPNOZDKQRD-UHFFFAOYSA-N
XLogP1.82
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 28809404
(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118794611
(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 70742301
(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
CID 73419376
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
(6-ethyl-2-methylquinolin-4-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95723621
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 134025112

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 70740250) is (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCc1ccc2nc(C)cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2c1.
What is the InChIKey of (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is SKPIGPNOZDKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-14-5-6-17-15(12-14)16(11-13(2)19-17)18(22)20-7-9-21(10-8-20)25(3,23)24/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 361.47 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 70740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).