N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide

C21H18FN3O2S — CID 27624686

IUPACN-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
SMILESO=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1ccccc1F
InChIInChI=1S/C21H18FN3O2S/c22-16-6-2-4-8-18(16)24-19(26)12-28-20-11-15(21(27)23-13-9-10-13)14-5-1-3-7-17(14)25-20/h1-8,11,13H,9-10,12H2,(H,23,27)(H,24,26)
InChIKeyKISMLHPJCYXQCW-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.00
Rot. Bonds6

About N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide

N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide (PubChem CID 27624686) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
PubChem CID27624686
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
SMILESO=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1ccccc1F
InChIInChI=1S/C21H18FN3O2S/c22-16-6-2-4-8-18(16)24-19(26)12-28-20-11-15(21(27)23-13-9-10-13)14-5-1-3-7-17(14)25-20/h1-8,11,13H,9-10,12H2,(H,23,27)(H,24,26)
InChIKeyKISMLHPJCYXQCW-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 39006337
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 27624413
N-cyclopropyl-2-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624771
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-cyclopropyl-2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27625913
N-cyclopropyl-2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645921
N-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27626666
N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645988
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 41259058

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide (CID 27624686) is N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide is O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1ccccc1F.
What is the InChIKey of N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide?
The InChIKey is KISMLHPJCYXQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c22-16-6-2-4-8-18(16)24-19(26)12-28-20-11-15(21(27)23-13-9-10-13)14-5-1-3-7-17(14)25-20/h1-8,11,13H,9-10,12H2,(H,23,27)(H,24,26).
What are the key properties of N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide?
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 27624686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).