N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide

C21H15FN2O2 — CID 4847591

IUPACN-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H15FN2O2/c22-17-8-3-1-6-14(17)13-23-21(25)16-12-19(20-10-5-11-26-20)24-18-9-4-2-7-15(16)18/h1-12H,13H2,(H,23,25)
InChIKeyXPKUXLUZPCZUNF-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.56
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 4847591) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID4847591
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H15FN2O2/c22-17-8-3-1-6-14(17)13-23-21(25)16-12-19(20-10-5-11-26-20)24-18-9-4-2-7-15(16)18/h1-12H,13H2,(H,23,25)
InChIKeyXPKUXLUZPCZUNF-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 55621271
N-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 4847591) is N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide is O=C(NCc1ccccc1F)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is XPKUXLUZPCZUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-8-3-1-6-14(17)13-23-21(25)16-12-19(20-10-5-11-26-20)24-18-9-4-2-7-15(16)18/h1-12H,13H2,(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4847591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).