N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide

C22H17ClN2O2 — CID 4124660

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26)
InChIKeyFGBZNWBFMNDTKQ-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.12
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 4124660) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID4124660
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26)
InChIKeyFGBZNWBFMNDTKQ-UHFFFAOYSA-N
XLogP5.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
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-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2425720
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
N-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 4124660) is N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is FGBZNWBFMNDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4124660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).