3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one

C20H22FN3O2 — CID 118660446

IUPAC3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
SMILESCC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc[nH]c2=O)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C20H22FN3O2/c1-11-18(23-16-4-3-9-22-20(16)26)15-10-14(21)7-8-17(15)24(12(2)25)19(11)13-5-6-13/h3-4,7-11,13,18-19,23H,5-6H2,1-2H3,(H,22,26)/t11-,18-,19-/m1/s1
InChIKeyWAUMWTKKIZUZIF-CXWAGAITSA-N
MW355.41 g/mol
LogP3.45
Rot. Bonds3

About 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one

3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 118660446) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
PubChem CID118660446
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
SMILESCC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc[nH]c2=O)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C20H22FN3O2/c1-11-18(23-16-4-3-9-22-20(16)26)15-10-14(21)7-8-17(15)24(12(2)25)19(11)13-5-6-13/h3-4,7-11,13,18-19,23H,5-6H2,1-2H3,(H,22,26)/t11-,18-,19-/m1/s1
InChIKeyWAUMWTKKIZUZIF-CXWAGAITSA-N
XLogP3.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one (CID 118660446) is 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one is CC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc[nH]c2=O)[C@@H](C)[C@@H]1C1CC1.
What is the InChIKey of 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is WAUMWTKKIZUZIF-CXWAGAITSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-11-18(23-16-4-3-9-22-20(16)26)15-10-14(21)7-8-17(15)24(12(2)25)19(11)13-5-6-13/h3-4,7-11,13,18-19,23H,5-6H2,1-2H3,(H,22,26)/t11-,18-,19-/m1/s1.
What are the key properties of 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 355.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 118660446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).