[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

C23H23FN2O3S — CID 50757611

IUPAC[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-15-6-8-18(12-16(15)2)30(28,29)22-19-13-17(24)7-9-21(19)25-14-20(22)23(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyRZDJFPQRIQCAQI-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.45
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 50757611) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID50757611
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-15-6-8-18(12-16(15)2)30(28,29)22-19-13-17(24)7-9-21(19)25-14-20(22)23(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyRZDJFPQRIQCAQI-UHFFFAOYSA-N
XLogP4.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]sulfonylbenzonitrile
CID 46274940
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
CID 71686404
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806
[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53334001
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (CID 50757611) is [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is RZDJFPQRIQCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-15-6-8-18(12-16(15)2)30(28,29)22-19-13-17(24)7-9-21(19)25-14-20(22)23(27)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 426.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).