2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide

C14H13FN2O3S — CID 146154707

IUPAC2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C14H13FN2O3S/c1-21(19,20)17-14(18)11-7-13(8-2-3-8)16-12-5-4-9(15)6-10(11)12/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKCIYCEFYXLZIER-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.94
Rot. Bonds3

About 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide (PubChem CID 146154707) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
PubChem CID146154707
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C14H13FN2O3S/c1-21(19,20)17-14(18)11-7-13(8-2-3-8)16-12-5-4-9(15)6-10(11)12/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyKCIYCEFYXLZIER-UHFFFAOYSA-N
XLogP1.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
CID 127367740
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide (CID 146154707) is 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide?
The InChIKey is KCIYCEFYXLZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-21(19,20)17-14(18)11-7-13(8-2-3-8)16-12-5-4-9(15)6-10(11)12/h4-8H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide is sourced from PubChem (CID 146154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).