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

C18H16F2N2O3 — CID 154878580

IUPAC7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2OCCF)c2ccc(F)cc2N1
InChIInChI=1S/C18H16F2N2O3/c19-7-8-25-16-4-2-1-3-14(16)22-18(24)13-10-17(23)21-15-9-11(20)5-6-12(13)15/h1-6,9,13H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyZPYYNUPUQKFEDH-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.24
Rot. Bonds5

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

7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 154878580) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID154878580
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2OCCF)c2ccc(F)cc2N1
InChIInChI=1S/C18H16F2N2O3/c19-7-8-25-16-4-2-1-3-14(16)22-18(24)13-10-17(23)21-15-9-11(20)5-6-12(13)15/h1-6,9,13H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyZPYYNUPUQKFEDH-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42934604
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
(4S)-7-fluoro-2-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 25496338

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 154878580) is 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2OCCF)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZPYYNUPUQKFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-7-8-25-16-4-2-1-3-14(16)22-18(24)13-10-17(23)21-15-9-11(20)5-6-12(13)15/h1-6,9,13H,7-8,10H2,(H,21,23)(H,22,24).
What are the key properties of 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(2-fluoroethoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 154878580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).