7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C16H18F4N2O2 — CID 86998531

IUPAC7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C16H18F4N2O2/c1-9(2)7-22(8-16(18,19)20)15(24)12-6-14(23)21-13-5-10(17)3-4-11(12)13/h3-5,9,12H,6-8H2,1-2H3,(H,21,23)
InChIKeySLQKQFOPVKNSGP-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.30
Rot. Bonds4

About 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86998531) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID86998531
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC Name7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C16H18F4N2O2/c1-9(2)7-22(8-16(18,19)20)15(24)12-6-14(23)21-13-5-10(17)3-4-11(12)13/h3-5,9,12H,6-8H2,1-2H3,(H,21,23)
InChIKeySLQKQFOPVKNSGP-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
2-[benzyl-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]acetic acid
CID 125149786
N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46588673
7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47021219
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252685
(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 32896131
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86998531) is 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SLQKQFOPVKNSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c1-9(2)7-22(8-16(18,19)20)15(24)12-6-14(23)21-13-5-10(17)3-4-11(12)13/h3-5,9,12H,6-8H2,1-2H3,(H,21,23).
What are the key properties of 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 346.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86998531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).