(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

C19H23FN4O4S — CID 46978929

IUPAC(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H23FN4O4S/c1-14-17(13-15-12-16(20)2-3-18(15)21-14)19(25)22-4-6-23(7-5-22)29(26,27)24-8-10-28-11-9-24/h2-3,12-13H,4-11H2,1H3
InChIKeyXZWQWXUDMTXLNJ-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.02
Rot. Bonds3

About (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 46978929) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID46978929
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H23FN4O4S/c1-14-17(13-15-12-16(20)2-3-18(15)21-14)19(25)22-4-6-23(7-5-22)29(26,27)24-8-10-28-11-9-24/h2-3,12-13H,4-11H2,1H3
InChIKeyXZWQWXUDMTXLNJ-UHFFFAOYSA-N
XLogP1.02
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78828494
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56515869
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 41469728
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 43037207
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239
4-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 41447194
[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772160
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 46978929) is (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is Cc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is XZWQWXUDMTXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-14-17(13-15-12-16(20)2-3-18(15)21-14)19(25)22-4-6-23(7-5-22)29(26,27)24-8-10-28-11-9-24/h2-3,12-13H,4-11H2,1H3.
What are the key properties of (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 422.48 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 46978929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).