6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H15FN4O2 — CID 70711274

IUPAC6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCn2ccnc2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,12H,4,6,8H2,(H,18,22)(H,19,21)
InChIKeyIVZRRIIDFHPSEB-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.26
Rot. Bonds4

About 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70711274) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70711274
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCn2ccnc2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,12H,4,6,8H2,(H,18,22)(H,19,21)
InChIKeyIVZRRIIDFHPSEB-UHFFFAOYSA-N
XLogP1.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97157046
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97134218
(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97142730
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86985115
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97130056
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17310605

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70711274) is 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCn2ccnc2)c2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is IVZRRIIDFHPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,12H,4,6,8H2,(H,18,22)(H,19,21).
What are the key properties of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70711274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).