N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H17FN2O2 — CID 46418891

IUPACN-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2ccccc2F)c2ccccc2N1
InChIInChI=1S/C18H17FN2O2/c19-15-7-3-1-5-12(15)9-10-20-18(23)14-11-17(22)21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,20,23)(H,21,22)
InChIKeyKWSIRKGRJADIED-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46418891) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46418891
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2ccccc2F)c2ccccc2N1
InChIInChI=1S/C18H17FN2O2/c19-15-7-3-1-5-12(15)9-10-20-18(23)14-11-17(22)21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,20,23)(H,21,22)
InChIKeyKWSIRKGRJADIED-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 138992300
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55747326
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134025863
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542491
N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166370652
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166416408
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46418891) is N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCc2ccccc2F)c2ccccc2N1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KWSIRKGRJADIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-7-3-1-5-12(15)9-10-20-18(23)14-11-17(22)21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46418891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).