2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide

C16H17FN2O2S — CID 95782044

IUPAC2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
SMILESC[S@@](=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C16H17FN2O2S/c1-22(21)7-6-18-16(20)13-9-15(10-2-3-10)19-14-5-4-11(17)8-12(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,20)/t22-/m1/s1
InChIKeyRHJRWZDDOMAZRA-JOCHJYFZSA-N
MW320.39 g/mol
LogP2.36
Rot. Bonds5

About 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide (PubChem CID 95782044) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
PubChem CID95782044
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
SMILESC[S@@](=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C16H17FN2O2S/c1-22(21)7-6-18-16(20)13-9-15(10-2-3-10)19-14-5-4-11(17)8-12(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,20)/t22-/m1/s1
InChIKeyRHJRWZDDOMAZRA-JOCHJYFZSA-N
XLogP2.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide (CID 95782044) is 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide is C[S@@](=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide?
The InChIKey is RHJRWZDDOMAZRA-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-22(21)7-6-18-16(20)13-9-15(10-2-3-10)19-14-5-4-11(17)8-12(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,20)/t22-/m1/s1.
What are the key properties of 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 95782044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).