6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide

C23H19ClN2O3 — CID 55912973

IUPAC6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C23H19ClN2O3/c24-19-11-18-6-2-8-25-22(18)21(12-19)23(27)26-13-16-4-1-5-17(10-16)14-28-15-20-7-3-9-29-20/h1-12H,13-15H2,(H,26,27)
InChIKeyVHLWOLLCFLFWKS-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.13
Rot. Bonds7

About 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide

6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 55912973) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
PubChem CID55912973
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C23H19ClN2O3/c24-19-11-18-6-2-8-25-22(18)21(12-19)23(27)26-13-16-4-1-5-17(10-16)14-28-15-20-7-3-9-29-20/h1-12H,13-15H2,(H,26,27)
InChIKeyVHLWOLLCFLFWKS-UHFFFAOYSA-N
XLogP5.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55660962
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55660956
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide (CID 55912973) is 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide is O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is VHLWOLLCFLFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-19-11-18-6-2-8-25-22(18)21(12-19)23(27)26-13-16-4-1-5-17(10-16)14-28-15-20-7-3-9-29-20/h1-12H,13-15H2,(H,26,27).
What are the key properties of 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide?
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 55912973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).