6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide

C15H15FN2O4S — CID 131962943

IUPAC6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
SMILESCS(=O)(=O)CC1(NC(=O)c2cc(F)cc3cccnc23)COC1
InChIInChI=1S/C15H15FN2O4S/c1-23(20,21)9-15(7-22-8-15)18-14(19)12-6-11(16)5-10-3-2-4-17-13(10)12/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeySJXAWBYLLUJYBZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.92
Rot. Bonds4

About 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide

6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide (PubChem CID 131962943) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
PubChem CID131962943
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
SMILESCS(=O)(=O)CC1(NC(=O)c2cc(F)cc3cccnc23)COC1
InChIInChI=1S/C15H15FN2O4S/c1-23(20,21)9-15(7-22-8-15)18-14(19)12-6-11(16)5-10-3-2-4-17-13(10)12/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeySJXAWBYLLUJYBZ-UHFFFAOYSA-N
XLogP0.92
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
CID 166368636
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 106300490
(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
CID 176916401
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516190

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide (CID 131962943) is 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide is CS(=O)(=O)CC1(NC(=O)c2cc(F)cc3cccnc23)COC1.
What is the InChIKey of 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide?
The InChIKey is SJXAWBYLLUJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-23(20,21)9-15(7-22-8-15)18-14(19)12-6-11(16)5-10-3-2-4-17-13(10)12/h2-6H,7-9H2,1H3,(H,18,19).
What are the key properties of 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide?
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 131962943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).