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

C18H15FN2O2 — CID 16613142

IUPACN-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15FN2O2/c19-14-6-3-4-12(10-14)8-9-20-17(22)15-11-13-5-1-2-7-16(13)21-18(15)23/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyIGPREIKJZQJDQZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.64
Rot. Bonds4

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

N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 16613142) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID16613142
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15FN2O2/c19-14-6-3-4-12(10-14)8-9-20-17(22)15-11-13-5-1-2-7-16(13)21-18(15)23/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyIGPREIKJZQJDQZ-UHFFFAOYSA-N
XLogP2.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[2-(3-fluorophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 37143352
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 16613142) is N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NCCc1cccc(F)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is IGPREIKJZQJDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-14-6-3-4-12(10-14)8-9-20-17(22)15-11-13-5-1-2-7-16(13)21-18(15)23/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16613142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).