N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H17F3N2O3 — CID 86990620

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-10(11-3-2-4-13(7-11)27-19(21)22)23-18(26)15-9-17(25)24-16-8-12(20)5-6-14(15)16/h2-8,10,15,19H,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyJQYWXOZKIVFYBD-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.73
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86990620) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID86990620
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-10(11-3-2-4-13(7-11)27-19(21)22)23-18(26)15-9-17(25)24-16-8-12(20)5-6-14(15)16/h2-8,10,15,19H,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyJQYWXOZKIVFYBD-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18137244
7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16597549
7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42895932
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
(4S)-4-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]-4-phenylbutanoic acid
CID 99644152
(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 7269167
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86990620) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is JQYWXOZKIVFYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-10(11-3-2-4-13(7-11)27-19(21)22)23-18(26)15-9-17(25)24-16-8-12(20)5-6-14(15)16/h2-8,10,15,19H,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86990620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).